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• Ethyl-(S)-4-Iodo-3-Hydroxybutanoate
IUPAC Name: ethyl (3S)-3-hydroxy-4-iodobutanoate | CAS Registry Number: 112100-39-7
Synonyms: (S)-Ethyl 3-hydroxy-4-iodobutanoate, SCHEMBL2168521, MolPort-035-691-046, SMWBHOKQXGBYJN-YFKPBYRVSA-N, Ethyl 3(S)-hydroxy-4-iodobutyrate, ethyl (S)-4-iodo-3-hydroxybutyrate, AKOS024463439, ethyl (S) -4-iodo-3-hydroxybutyrate, AJ-41463, AK160560, ST24036289, (S)-3-hydroxy-4-iodobutanoic acid ethyl ester

Molecular Formula: C6H11IO3Molecular Weight: 258.054210 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SMWBHOKQXGBYJN-YFKPBYRVSA-N

• Formyl-L-phenylalanine
IUPAC Name: 2-formamido-3-phenylpropanoic acid | CAS Registry Number: 13200-85-6
Synonyms: N-Formylphenylalanine, N-Formyl-D-phenylalanine, N-Formyl-L-phenylalanine, N-Formyl-dl-phenylalanine, ChemDiv3_000183, L-Phenylalanine, N-formyl-, Oprea1_613023, CBDivE_003101, DL-Phenylalanine, N-formyl-, MLS000530164, N-Formyl-3-phenyl-L-alanine, F3889_SIGMA, EINECS 236-166-8, CID100122, NSC334342, IDI1_019501, NCGC00177598-01, SMR000135141, ST5410522

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NSTPXGARCQOSAU-UHFFFAOYSA-N

• GABOB (beta-hydroxy-GABA)
IUPAC Name: (3S)-4-amino-3-hydroxybutanoic acid | CAS Registry Number: 7013-05-0
Synonyms: (S)-4-AMINO-3-HYDROXYBUTANOIC ACID, (3S)-4-amino-3-hydroxybutanoic acid, SBB065945, (S)-(+)-Amino-3-hydroxybutanoic acid, (S)-(+)-4-Amino-3-hydroxybutyric acid, PubChem5723, AC1ODZKT, UNII-CM46XGM78M, CHEMBL296263, (S)-(+)-3-Hydroxy-GABA, CTK5D1896, CHEBI:162158, MolPort-003-983-914, DNC014732, AG-G-73773, (3S)-4-azanyl-3-oxidanyl-butanoic acid, AC-13943, AK126642, Butanoic acid,4-amino-3-hydroxy-, (3S)-, KB-211529

Molecular Formula: C4H9NO3Molecular Weight: 119.119160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YQGDEPYYFWUPGO-VKHMYHEASA-N

• H-Abu-OH
IUPAC Name: (2S)-2-aminobutanoic acid | CAS Registry Number: 1492-24-6
Synonyms: L-Butyrine, L-2-Aminobutyric acid, L-alpha-Aminobutyric acid, nchembio856-comp2, (S)-2-Aminobutanoate, L-alpha-Aminobutyrate, (S)-2-Aminobutanoic acid, L-2-Aminobuttersaeure, (S)-2-Aminobutyric acid, 2S-amino-butanoic acid, (-)-2-Aminobutyric acid, L-alpha-Amino-n-butyric acid, ALPHA-AMINOBUTYRIC ACID, (S)-2-Amino-butyric acid, (2S)-2-aminobutanoic acid, L-(+)-2-aminobutyric acid, A1879_SIGMA, A2536_SIGMA, Butyric acid, 2-amino-, L-, CHEBI:35619

Molecular Formula: C4H9NO2Molecular Weight: 103.119760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QWCKQJZIFLGMSD-VKHMYHEASA-N

• Heptanoyl Chloride
IUPAC Name: heptanoyl chloride | CAS Registry Number: 2528-61-2
Synonyms: HEPTANOYL CHLORIDE, Enanthic chloride, Oenanthic chloride, n-Heptanoyl chloride, 147249_ALDRICH, 75210_FLUKA, CID17313, EINECS 219-775-3, ZINC02036078

Molecular Formula: C7H13ClOMolecular Weight: 148.630520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UCVODTZQZHMTPN-UHFFFAOYSA-N

• Hydrazo Benzene
IUPAC Name: 1,2-di(phenyl)hydrazine | CAS Registry Number: 122-66-7
Synonyms: Hydrazobenzene, Hydrazobenzen, N,N'-Bianiline, hydrazodibenzene, Benzene, hydrazodi-, N,N'-Diphenylhydrazine, 1,2-DIPHENYLHYDRAZINE, Hydrazine, 1,2-diphenyl-, Hydrazobenzen [Czech], (sym)-Diphenylhydrazine, 1,1'-Hydrazodibenzene, 1,2-Diphenyldrazine, Hydrazine, diphenyl-, DIPHENYLHYDRAZINE, Benzene, 1,1'-hydrazobis-, RCRA waste no. U109, RCRA waste number U109, WLN: RMMR, Diphenylhydrazine, 1,2-, sym-DIPHENYLHYDRAZINE

Molecular Formula: C12H12N2Molecular Weight: 184.237080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YBQZXXMEJHZYMB-UHFFFAOYSA-N

• Indole-2-Carboxylic Acid
IUPAC Name: 1H-indole-2-carboxylic acid | CAS Registry Number: 1477-50-5
Synonyms: 2-Carboxyindole, Indole-2-carboxylic acid, 2-Indolecarboxylic acid, 1H-Indole-2-carboxylic acid, Spectrum_001485, SpecPlus_000676, Spectrum2_000021, Spectrum3_000943, Spectrum4_001042, Spectrum5_001735, I5109_ALDRICH, Oprea1_557882, KBioGR_001304, KBioSS_001965, DivK1c_006772, SPECTRUM1502082, SPBio_000081, INDOLE-2-CARBOXLIC ACID, EINECS 216-030-4, KBio1_001716

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N

• Indole-3-carbinol
IUPAC Name: 1H-indol-3-ylmethanol | CAS Registry Number: 700-06-1
Synonyms: 3-Indolylcarbinol, 3-Hydroxymethylindole, Indinol, INDOLE-3-METHANOL, 3-Indolemethanol, I3C cpd, 1H-indol-3-ylmethanol, 1H-Indole-3-methanol, Spectrum2_001710, Spectrum3_001973, C9H9NO, CCRIS 3261, BSPBio_003573, MLS001333161, MLS001333162, I7256_SIGMA, SPECTRUM1505320, SPBio_001700, Prevention 4 (indole-3-carbinol), 1H-Indole-3-methanol (9CI)

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IVYPNXXAYMYVSP-UHFFFAOYSA-N

• Indole-3-carboxylic acid
IUPAC Name: 1H-indole-3-carboxylic acid | CAS Registry Number: 771-50-6
Synonyms: 1H-Indole-3-carboxylic acid, Oprea1_560034, CHEBI:24809, 284734_ALDRICH, EINECS 212-231-6, ALBB-007628, CID69867, SBB003952, SDCCGMLS-0065969.P001, LS-81440, TL806406, I-2320, InChI=1/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12, ICO

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KMAKOBLIOCQGJP-UHFFFAOYSA-N

• Indole-4-carboxaldehyde
IUPAC Name: 1H-indole-4-carbaldehyde | CAS Registry Number: 1074-86-8
Synonyms: 4-Formylindole, 1H-Indole-4-carbaldehyde, 1H-Indole-4-carboxaldehyde, 632422_ALDRICH, NSC337264, ALBB-004801, ZERO/008830, CID333703, ZINC01576624, F2311G1, TL8000263, I-2202

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N

• Iso-Butyryl Chloride
IUPAC Name: 2-methylpropanoyl chloride | CAS Registry Number: 79-30-1
Synonyms: Isobutyryl chloride, Isobutanoyl chloride, Isobutyric acid chloride, Isobutyroyl chloride, 2-Methylpropanoyl chloride, Dimethylacetyl chloride, Chloro isopropyl ketone, 2-Methylpropionyl chloride, alpha-Methylpropionyl chloride, PROPANOYL CHLORIDE, 2-METHYL-, 139122_ALDRICH, 58420_FLUKA, EINECS 201-194-1, UN2395, ZINC01850092, LS-123213, Isobutyryl chloride [UN2395] [Flammable liquid], Isobutyryl chloride [UN2395] [Flammable liquid], InChI=1/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H, 120126-85-4

Molecular Formula: C4H7ClOMolecular Weight: 106.550780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DGMOBVGABMBZSB-UHFFFAOYSA-N

• Isononanoyl Chloride
IUPAC Name: 3,5,5-trimethylhexanoyl chloride | CAS Registry Number: 36727-29-4
Synonyms: Isononanoyl chloride, Isononanoic acid chloride, 3,5,5-Trimethylhexanoyl chloride, 422959_ALDRICH, EINECS 253-168-4, Hexanoyl chloride, 3,5,5-trimethyl-, LS-75507

Molecular Formula: C9H17ClOMolecular Weight: 176.683680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GEKPNPPFAYJZRD-UHFFFAOYSA-N

• Isophthaloyl Chloride
IUPAC Name: benzene-1,3-dicarbonyl chloride | CAS Registry Number: 99-63-8
Synonyms: Isophthaloyl dichloride, Isophthaloyl chloride, Isothaloyl chloride, Isophthalic chloride, Isophthalyl chloride, m-Phthaloyl chloride, Isophthalyl dichloride, m-Phthalic dichloride, m-Phthalyl dichloride, m-Benzenedicarbonyl chloride, Isophthalic acid chloride, meta-Phthalyl dichloride, 1,3-Benzenedicarbonyl dichloride, Isophthalic acid dichloride, WLN: GVR CVG, I19403_ALDRICH, HSDB 5326, 1,3-BENZENEDICARBONYL CHLORIDE, 59210_FLUKA, EINECS 202-774-7

Molecular Formula: C8H4Cl2O2Molecular Weight: 203.022160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FDQSRULYDNDXQB-UHFFFAOYSA-N

• Isosorbide Mononitrate
IUPAC Name: [(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate | CAS Registry Number: 16051-77-7
Synonyms: Monosorbitrate, Imdur, vasotrate, Monosordil, Corangin, Epicordin, Etimonis, Isomonat, Isomonit, Monoclair, Monolong, Monopront, Monotrate, Multitab, Nitramin, Olicardin, Orasorbil, Percorina, Promocard, Sigacora

Molecular Formula: C6H9NO6Molecular Weight: 191.138760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YWXYYJSYQOXTPL-SLPGGIOYSA-N

• L-Azetidine-2-carboxylic acid
IUPAC Name: (2S)-azetidine-2-carboxylic acid | CAS Registry Number: 2133-34-8
Synonyms: Azetidinecarboxylic acid, Azetidyl-2-carboxylic acid, (S)-Azetidine-2-carboxylic acid, (S)-2-Azetidinecarboxylic acid, L-Azetidine 2-carboxylic acid, 2-Azetidinecarboxylic acid, L-, Lopac0_000023, HSDB 3465, A0760_SIGMA, Azetidine-2-carboxylic acid, L-, (2S)-azetidine-2-carboxylic acid, CHEBI:6198, 2-Azetidinecarboxylic acid, (S)-, 11542_FLUKA, EINECS 218-362-5, (S)-(-)-Azetidine-2-carboxylic acid, CID16486, (L)-AZETIDINE-2-CARBOXYLIC ACID, SBB004365, Acide L-azetidine-2-carboxylic [French]

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IADUEWIQBXOCDZ-VKHMYHEASA-N

• L-Ornithine Acetate
IUPAC Name: acetic acid; (2S)-2,5-diaminopentanoic acid | CAS Registry Number: 60259-81-6
Synonyms: L-Ornithine acetate, EINECS 262-130-6, NSC118015, CID6453938

Molecular Formula: C7H16N2O4Molecular Weight: 192.212940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: PHEDTXJYYFZENX-WCCKRBBISA-N

• L-Pyroglutamic acid
IUPAC Name: (2S)-5-oxopyrrolidine-2-carboxylic acid | CAS Registry Number: 98-79-3
Synonyms: Pyroglutamic acid, 5-oxo-L-proline, Pidolic acid, Pyroglutamate, 5-OXOPROLINE, Proline, 5-oxo-, L-5-Oxoproline, OXOPROLINE, 5-oxo-D-proline, GLUTIMINIC ACID, Pidolic acid [INN], GLUTIMIC ACID, L-GLUTIMIC ACID, L-Proline, 5-oxo-, nchembio756-comp7, DL-Pyroglutamic acid, L-GLUTIMINIC ACID, Pyrrolidonecarboxylic acid, Proline, 5-oxo-, L-, 5-Carboxy-2-pyrrolidinone

Molecular Formula: C5H7NO3Molecular Weight: 129.113980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ODHCTXKNWHHXJC-VKHMYHEASA-N

• L-tert-Leucine
IUPAC Name: 2-amino-3,3-dimethylbutanoic acid | CAS Registry Number: 20859-02-3
Synonyms: D-tert-Leucine, DL-tert-Leucine, D-t-Butylglycine, 3-Methyl-l-valine, DL-alpha-tert-Butylglycine, 332178_ALDRICH, 2-Amino-3,3-dimethylbutanoic acid, 61837_FLUKA, NSC203785, ()-2-Amino-3,3-dimethylbutyric acid

Molecular Formula: C6H13NO2Molecular Weight: 131.172920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NPDBDJFLKKQMCM-UHFFFAOYSA-N

• m-Chloro Propiophenone
IUPAC Name: 1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34841-35-5
Synonyms: 3'-Chloropropiophenone, m-Chloropropiophenone, 248193_ALDRICH, EINECS 252-242-3, 1-Propanone, 1-(3-chlorophenyl)-, ZINC00407109, ST5405393, TL8002590

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PQWGFUFROKIJBO-UHFFFAOYSA-N

• M-Chlorobenzoyl Chloride
IUPAC Name: 3-chlorobenzoyl chloride | CAS Registry Number: 618-46-2
Synonyms: m-Chlorobenzoyl chloride, 3-Chlorobenzoyl chloride, Benzoyl chloride, 3-chloro-, Benzoyl chloride, m-chloro-, C26801_ALDRICH, 23735_FLUKA, EINECS 210-552-6, NSC 41886, NSC41886, Benzoyl chloride, m-chloro- (8CI), ZINC03860261, LS-188176, TL8003960

Molecular Formula: C7H4Cl2OMolecular Weight: 175.012060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WHIHIKVIWVIIER-UHFFFAOYSA-N

• m-Chlorophenylacetic Acid
IUPAC Name: 2-(3-chlorophenyl)acetic acid | CAS Registry Number: 1878-65-5
Synonyms: m-Chlorophenylacetic acid, 3-CHLOROPHENYLACETIC ACID, 3-Chlorobenzeneacetic acid, (m-Chlorophenyl)acetic acid, C63359_ALDRICH, Benzeneacetic acid, 3-chloro-, Acetic acid, (m-chlorophenyl)-, NSC87556, EINECS 217-520-0, NSC 87556, Benzeneacetic acid, 3-chloro- (9CI), Acetic acid, (m-chlorophenyl)- (8CI), TL806282, ST5406264, InChI=1/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WFPMUFXQDKMVCO-UHFFFAOYSA-N

• M-Cyano Toluene (MCT)
IUPAC Name: 3-methylbenzonitrile | CAS Registry Number: 620-22-4
Synonyms: m-Tolunitrile, m-Cyanotoluene, m-Toluonitrile, m-Tolylnitrile, m-Toluenenitrile, 3-Cyanotoluene, 3-Tolunitrile, m-Tolynitrile, m-Methylbenzonitrile, Benzonitrile, 3-methyl-, 3-METHYLBENZONITRILE, 1-Methyl-3-cyanobenzene, 3-Toluenkarbonitril [Czech], Nitril kyseliny m-toluylove, WLN: NCR C1, CCRIS 4736, 132322_ALDRICH, EINECS 210-631-5, Nitril kyseliny m-toluylove (czech), NSC 75453

Molecular Formula: C8H7NMolecular Weight: 117.147880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BOHCMQZJWOGWTA-UHFFFAOYSA-N

• m-Methylphenylacetonitrile
IUPAC Name: 2-(3-methylphenyl)acetonitrile | CAS Registry Number: 2947-60-6
Synonyms: m-Xylyl cyanide, 3-Methylbenzyl cyanide, m-Methylbenzyl cyanide, 3-Methylphenylacetonitrile, M31600_ALDRICH, CID76279, NSC20695, EINECS 220-962-7, NSC 20695, ZINC01571183, BBV-039521

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WOJADIOTNFDWNQ-UHFFFAOYSA-N

• m-Tolualdehyde
IUPAC Name: 3-methylbenzaldehyde | CAS Registry Number: 620-23-5
Synonyms: 3-Methylbenzaldehyde, M-TOLUALDEHYDE, 3-Tolylaldehyde, m-Methylbenzaldehyde, m-Tolyl aldehyde, m-tolylaldehyde, Benzaldehyde, 3-methyl-, m-tolyl aldehyde, FEMA No. 3068, NCIOpen2_001577, T35505_ALDRICH, W306802_ALDRICH, NSC 1244, 89840_FLUKA, EINECS 210-632-0, NSC1244, NSC 89859, CID12105, CPD-8774, NSC89859

Molecular Formula: C8H8OMolecular Weight: 120.148520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OVWYEQOVUDKZNU-UHFFFAOYSA-N

• m-Tolylacetic acid
IUPAC Name: 2-(3-methylphenyl)acetic acid | CAS Registry Number: 621-36-3
Synonyms: 3-Methylphenylacetic acid, m-Tolyl-acetic acid, T38091_ALDRICH, ghl.PD_Mitscher_leg0.1056, CHEBI:329287, CID12121, NSC76090, EINECS 210-683-9, BBV-039650, TL8004045

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GJMPSRSMBJLKKB-UHFFFAOYSA-N

• Meta Aminophenol
IUPAC Name: 3-aminophenol | CAS Registry Number: 591-27-5
Synonyms: 3-Aminophenol, m-Hydroxyaniline, M-AMINOPHENOL, 3-Hydroxyaniline, Phenol, 3-amino-, Fouramine EG, Futramine EG, Fourrine EG, Pelagol EG, Tertral EG, Furro EG, Renal EG, Ursol EG, Fourrine 65, Zoba EG, Phenol, m-amino-, Nako TEG, m-Hydroxyphenylamine, BASF ursol EG, m-Aminofenol

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CWLKGDAVCFYWJK-UHFFFAOYSA-N

• Methanesulphonic Acid (MSA)
IUPAC Name: methanesulfonic acid | CAS Registry Number: 75-75-2
Synonyms: METHANESULFONIC ACID, Methylsulfonic acid, Methanesulfonate, Methansulfonsaeure, Methanesulphonic acid, methanesulphonic-acid-, Ammonium methanesulfonate, LACTIC ACID(DL), WLN: WSQ1, CCRIS 2783, Methanesulfonic acid solution, HSDB 5004, Kyselina methansulfonova [Czech], M4141_SIAL, NSC 3718, 17834_FLUKA, 55517_FLUKA, 95491_FLUKA, CHEBI:27376, EINECS 200-898-6

Molecular Formula: CH4O3SMolecular Weight: 96.105660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AFVFQIVMOAPDHO-UHFFFAOYSA-N

• Methyl 3-Formyl-4-Hydroxy Phenyl Acetate
IUPAC Name: methyl 2-(3-formyl-4-hydroxyphenyl)acetate | CAS Registry Number: 61874-04-2
Synonyms: Methyl 2-(3-formyl-4-hydroxyphenyl)acetate, 4-Hydroxy-3-carboxaldehydeacetic acid methyl ester, 4-HYDROXY-3-FORMYL-PHENYLACETIC ACID METHYL ESTER, CTK5B3943, MolPort-005-934-099, ANW-63561, ZINC02539980, AKOS006292950, AB21066, AG-G-26195, AC-12908, AK-79429, KB-242280, Benzeneaceticacid, 3-formyl-4-hydroxy-, methyl ester, BENZENEACETIC ACID, 3-FORMYL-4-HYDROXY-, METHYL ESTER, 3-Formyl-4-hydroxyphenylaceticacid methyl ester;Methyl 2-(3-formyl-4-hydroxyphenyl)acetate;Methyl (3-formyl-4-hydroxyphenyl)acetate;

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NUMJEIDLAXIVPL-UHFFFAOYSA-N

• Methyl 3-hydroxy-4,5-dimethoxybenzoate
IUPAC Name: methyl 3-hydroxy-4,5-dimethoxybenzoate | CAS Registry Number: 83011-43-2
Synonyms: ZINC02566749, SBB016974, CID2733956

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LCIFXEQPXQVBGL-UHFFFAOYSA-N

• Methyl 4-Hydroxyphenylacetate
IUPAC Name: methyl 2-(4-hydroxyphenyl)acetate | CAS Registry Number: 14199-15-6
Synonyms: Methyl 4-hydroxyphenylacetate, 4-Hydroxybenzeneacetic acid, 224502_ALDRICH, EINECS 238-050-2, ZINC00395674, Benzeneacetic acid, 4-hydroxy-, methyl ester, Acetic acid, (p-hydroxyphenyl)-, methyl ester, AI3-36062, ST5406479, TL8007011

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XGDZEDRBLVIUMX-UHFFFAOYSA-N

• Methyl P-Aminobenzoate
IUPAC Name: methyl 4-aminobenzoate | CAS Registry Number: 619-45-4
Synonyms: Methyl 4-aminobenzoate, 4-Carbomethoxyaniline, p-(Methoxycarbonyl)aniline, 4-(Methoxycarbonyl)aniline, METHYL P-AMINOBENZOATE, 4-(Carbomethoxyl)aniline, Methyl aniline-4-carboxylate, 4-Aminobenzoic acid methyl ester, p-Aminobenzoic acid methyl ester, Benzoic acid, p-amino-, methyl ester, Benzoic acid, 4-amino-, methyl ester, ghl.PD_Mitscher_leg0.22, 274186_ALDRICH, ARONIS013958, NSC 3783, 06990_FLUKA, EINECS 210-598-7, NSC3783, p-Aminobenzoic acid, methyl ester, AIDS020047

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LZXXNPOYQCLXRS-UHFFFAOYSA-N

• Methyl sulfonoyl methyl amine
IUPAC Name: N-methylmethanesulfonamide | CAS Registry Number: 1184-85-6
Synonyms: N-Methylmethanesulfonamide, Methanesulfonamide, N-methyl-, Methanesulfonic acid methylamide, Methansulfonic acid-n-methylamide, NSC 137909, BRN 1633748, Methansulfonsaure-N-methylamid [German], NSC137909, BBV-030293, LS-90147, 4-04-00-00268 (Beilstein Handbook Reference)

Molecular Formula: C2H7NO2SMolecular Weight: 109.147480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UHNHTTIUNATJKL-UHFFFAOYSA-N

• Methyl trimethylacetate
IUPAC Name: methyl 2,2-dimethylpropanoate | CAS Registry Number: 598-98-1
Synonyms: Methyl pivalate, Pivalic acid, methyl ester, M86502_ALDRICH, PIVALIC ACID METHYL ESTER, Methyl 2,2-dimethylpropionate, 80920_FLUKA, Propanoic acid, 2,2-dimethyl-, methyl ester, Trimethylacetic Acid Methyl Ester, CHEBI:142412, MolPort-000-157-639, CID69027, EINECS 209-959-1, ZINC00391896, FR-0224, 2,2-Dimethylpropionic Acid Methyl Ester, 2,2-Dimethyl-propionic acid methyl ester, BBV-24878969, P0462, InChI=1/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H

Molecular Formula: C6H12O2Molecular Weight: 116.158280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CNMFHDIDIMZHKY-UHFFFAOYSA-N

• Methyl-2-Amino-4[[(2,5-DichloroPhenyl)Amino]Carbonyl]Benzoate
IUPAC Name: methyl 2-amino-4-[(2,5-dichlorobenzoyl)amino]benzoate | CAS Registry Number: 59673-82-4
Synonyms: EINECS 261-853-4, CID108802, Methyl 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoate, Benzoic acid, 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)-, methyl ester

Molecular Formula: C15H12Cl2N2O3Molecular Weight: 339.173380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PDWBHZYCNIOXCB-UHFFFAOYSA-N

• Methyl-4-Acetamido-5-Chloro-2-Methoxybenzoate
IUPAC Name: methyl 4-acetamido-5-chloro-2-methoxybenzoate | CAS Registry Number: 4093-31-6
Synonyms: Oprea1_093629, 463450_ALDRICH, EINECS 223-840-1, ZINC00155726, Methyl 4-acetamido-5-chloro-o-anisate, ST5307236, Methyl 4-acetamido-5-chloro-2-methoxybenzoate, Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester, InChI=1/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14

Molecular Formula: C11H12ClNO4Molecular Weight: 257.670280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OUEXNQRVYGYGIK-UHFFFAOYSA-N

• Methyl-P-Nitrobenzoate
IUPAC Name: methyl 4-nitrobenzoate | CAS Registry Number: 619-50-1
Synonyms: Methyl 4-nitrobenzoate, METHYL P-NITROBENZOATE, Methyl-p-nitrobenzoate, p-Carbomethoxynitrobenzene, Methyl p-nitro benzoate, Benzoic acid, 4-nitro-, methyl ester, WLN: WNR DVO1, p-Nitrobenzoic acid methyl ester, Benzoic acid, p-nitro-, methyl ester, 72962_ALDRICH, ARONIS007141, NSC 4137, EINECS 210-599-2, NSC4137, ZINC00556156, AI3-02241, LS-38024, ST5331833, TL8003990, AB-131/40897075

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YOJAHJGBFDPSDI-UHFFFAOYSA-N

• Methylindole-4-carboxylate
IUPAC Name: methyl 1H-indole-4-carboxylate | CAS Registry Number: 39830-66-5
Synonyms: Methyl indole-4-carboxylate, methyl 1H-indole-4-carboxylate, 273880_ALDRICH, ZINC00391098, ALBB-006376, CID2733668, M2157G1, ST5405901, TL8002872, I-2510

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WEAXQUBYRSEBJD-UHFFFAOYSA-N

• Modafinil
IUPAC Name: 2-[di(phenyl)methylsulfinyl]acetamide | CAS Registry Number: 68693-11-8
Synonyms: modafinil, Provigil, Modiodal, Attenace, Modasomil, Modavigil, Pulmicort, Alertec, Sparlon, Vigil, (+-)-Modafinil, Modafinilum [Latin], Modafinilo [Spanish], Provigil (TN), Armodafinil [INN], Modafinil [USAN:INN], Ambap1002, Spectrum2_001712, 2-(Benzhydrylsulfinyl)acetamide, DEA No. 1680

Molecular Formula: C15H15NO2SMolecular Weight: 273.350100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YFGHCGITMMYXAQ-UHFFFAOYSA-N

• Mono Chloro Xylene
IUPAC Name: 1-(chloromethyl)-2-methylbenzene | CAS Registry Number: 552-45-4
Synonyms: o-Xylyl chloride, 2-Methylbenzyl chloride, omega-Chloro-o-xylene, o-Methylbenzyl chloride, o-Xylyl-alpha-chloride, 2-(Chloromethyl)toluene, o-Xylene, .alpha.-chloro-, o-Xylene, alpha-chloro-, ALPHA-CHLORO-O-XYLENE, C73303_ALDRICH, Benzene, 1-(chloromethyl)-2-methyl-, 1-(Chloromethyl)-2-methylbenzene, HSDB 2681, EINECS 209-013-8, ST5214004, InChI=1/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H, 99765-61-4

Molecular Formula: C8H9ClMolecular Weight: 140.610060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VQRBXYBBGHOGFT-UHFFFAOYSA-N

• N,N'-Dicyclohexylcarbodiimide(DCC)
IUPAC Name: N,N'-dicyclohexylmethanediimine | CAS Registry Number: 538-75-0
Synonyms: DCCD, DICYCLOHEXYLCARBODIIMIDE, Carbodicyclohexylimide, DCCI, DCC solution, N,N'-Dicyclohexylcarbodiimide, Dicylcohexylcarbodiimide, 1,3-Dicyclohexylcarbodiimide, Carbodiimide, dicyclohexyl-, nchembio884-comp2, Ambap4714, Bis(cyclohexyl)carbodiimide, Dicyclohexyl-carboxydilmide, Cyclohexanamine, N,N'-methanetetraylbis-, D80002_ALDRICH, 379115_ALDRICH, CARBODIIMIDE,DICYCLOHEXYL, CID10868, 36650_FLUKA, 36651_FLUKA

Molecular Formula: C13H22N2Molecular Weight: 206.327180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QOSSAOTZNIDXMA-UHFFFAOYSA-N

• N,N'-Diisopropyl Carbodiimide
IUPAC Name: N,N'-di(propan-2-yl)methanediimine | CAS Registry Number: 693-13-0
Synonyms: Diisopropylcarbodiimide, N,N'-Diisopropylcarbodiimide, Carbodiimide, diisopropyl-, DIC impregnated tablets, 1,3-Diisopropylcarbodiimide, CCRIS 3413, 2-Propanamine, N,N'-methanetetraylbis-, 2-Propanone, dimethylhydrazone, 685666_ALDRICH, NSC42080, 38370_FLUKA, EINECS 211-743-7, D125407_SIAL, NSC 42080, AIDS060646, AIDS-060646, CID12734, BRN 0878281, LS-1591, N,N'-Methanetetraylbis(1-methylethylamine)

Molecular Formula: C7H14N2Molecular Weight: 126.199460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BDNKZNFMNDZQMI-UHFFFAOYSA-N

• N,O-Bis(Trimethylsilyl) Trifluoroacetamide
IUPAC Name: trimethylsilyl 2,2,2-trifluoro-N-trimethylsilylethanimidate | CAS Registry Number: 25561-30-2
Synonyms: Bis(trimethylsilyl)trifluoroacetamide, EINECS 247-103-9, NSC379423, NSC 379423, N,O-Bis(trimethylsilyl)trifluoroacetamide, TL8002073, Trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate

Molecular Formula: C8H18F3NOSi2Molecular Weight: 257.400830 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XCOBLONWWXQEBS-UHFFFAOYSA-N

• N-(1-Adamantyl)acetamide
IUPAC Name: N-(1-adamantyl)acetamide | CAS Registry Number: 880-52-4
Synonyms: 1-Acetamidoadamantane, 1-Adamantylacetamide, N-1-Adamantylacetamide, Acetamide, N-1-adamantyl-, 1-Acetamino adamantane, Ambap5974, Acetamide, N-(1-adamantyl)-, 137103_ALDRICH, EINECS 212-914-9, AIDS211778, NSC 527917, AIDS-211778, BRN 2098306, NSC527917, ZINC03860730, LS-8000, N-Tricyclo(3.3.1.13,7)dec-1-ylacetamide, Acetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-, Acetamide, N-tricyclo[3.3.1.1]dec-1-yl-, 4-12-00-00220 (Beilstein Handbook Reference)

Molecular Formula: C12H19NOMolecular Weight: 193.285360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BCVXYGJCDZPKGV-UHFFFAOYSA-N

• N-(4-Methoxyphenyl)piperazine
IUPAC Name: 1-(4-methoxyphenyl)piperazine | CAS Registry Number: 38212-30-5
Synonyms: 1-(4-Anisyl)piperazine, 1-(4-Methoxyphenyl)piperazine, Oprea1_137034, Oprea1_331497, 571415_ALDRICH, Piperazine, 1-(4-methoxyphenyl)-, EINECS 253-829-7, ST5213217

Molecular Formula: C11H16N2OMolecular Weight: 192.257540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MRDGZSKYFPGAKP-UHFFFAOYSA-N

• N-(beta-Hydroxyethyl)-2-nitro-p-toluidine
IUPAC Name: 2-(4-methyl-2-nitroanilino)ethanol | CAS Registry Number: 100418-33-5
Synonyms: 3-Nitro-4-Hydroxyethy Lamino Toluene, 2-(4-Methyl-2-nitrophenylamino)ethanol, 2-((4-Methyl-2-nitrophenyl)amino)ethanol, 4-(2-Hydroxyethylamino)-3-nitrotoluene, N-(2-Hydroxyethyl) 4-methyl-2-nitroaniline, 2-[(4-methyl-2-nitro-phenyl)amino]ethanol, SureCN24076, UNII-KL22OLP94K, KSC495C5D, ACMC-2097q1, Jsp000113, CTK3J5151, Hydroxyethyl-2-nitro-p-toluidine, MolPort-005-935-995, 2-(4-methyl-2-nitroanilino)ethanol, ANW-14279, SBB064231, ZINC21986906, AKOS009357247, AG-D-05471

Molecular Formula: C9H12N2O3Molecular Weight: 196.203180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SCZQUWZLEIYDBD-UHFFFAOYSA-N

• N-(Isopropylbenzimidazole-2-One)
IUPAC Name: 3-propan-2-yl-1H-benzimidazol-2-one | CAS Registry Number: 35681-40-4
Synonyms: SBB056000, 1-Isopropyl-3H-1,3-benzodiazol-2-one, 1-Isopropyl-1,3-dihydro-2H-benzimidazol-2-one, 1-(methylethyl)-3-hydrobenzimidazol-2-one, MLS000097941, ACMC-1CSOM, AC1LVEN9, SureCN828232, AGN-PC-0077S0, CTK4H5148, MolPort-000-479-085, HMS2494J16, ANW-28267, ZINC06498414, AKOS001016719, 3-propan-2-yl-1H-benzimidazol-2-one, AG-B-82669, AG-F-23836, MCULE-6466001073, AK-81607

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IKWYGATUQXCBFU-UHFFFAOYSA-N

• N-[(S)-Ethoxycarbonylbutyl]-L-alanine
IUPAC Name: (2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid | CAS Registry Number: 82834-12-6
Synonyms: N-[(S)-1-Carbethoxy-1-butyl]-(S)-alanine, (S)-2-(((S)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoic acid, N-((S)-Ethoxycarbonyl-1-butyl)-(S)-alanine, N-[(S)-ETHOXYCARBONYL-1-BUTYL]-(S)-ALANINE, PubChem21055, KSC448A3H, CTK3E8033, MolPort-009-197-828, ANW-53704, SBB065799, AKOS015892676, AG-B-34280, AK-78694, N-[(S)-1-Carbethoxybutyl]-(S)-alanine, N963, FT-0641885, (S)-N-(1-Carboxyethyl)-L-norvaline 1-Ethyl Ester, L-Norvaline,N-(1-carboxyethyl)-, 1-ethyl ester, (S)-;L-Norvaline,N-[(1S)-1-carboxyethyl]-, 1-ethyl ester;

Molecular Formula: C10H19NO4Molecular Weight: 217.262160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: AUVAVXHAOCLQBF-YUMQZZPRSA-N

• N-Benzyl piperidine-4-carboxaldehyde
IUPAC Name: 1-(phenylmethyl)piperidine-4-carbaldehyde | CAS Registry Number: 22065-85-6
Synonyms: ZERO/005913, 1-Benzylpiperidine-4-carbaldehyde, 664081_ALDRICH, N-Benzylpiperidine-4-carboxaldehyde, ALBB-006394, CID89584, EINECS 244-757-7

Molecular Formula: C13H17NOMolecular Weight: 203.280180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N

• N-Chloro Acetyl 2,6-Dichloro Diphenyl Amine
IUPAC Name: 2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide | CAS Registry Number: 15308-01-7
Synonyms: STOCK1S-95528, EINECS 239-350-6, ZINC04834358, N-Chloroacetyl-N-phenyl-2,6-dichloroaniline, 2-Chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide, Acetamide, 2-chloro-N-(2,6-dichlorophenyl)-N-phenyl-

Molecular Formula: C14H10Cl3NOMolecular Weight: 314.594300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BPEUHDIEZQWRGC-UHFFFAOYSA-N

• N-Ethyl Piperazine
IUPAC Name: 1-ethylpiperazine | CAS Registry Number: 5308-25-8
Synonyms: 1-Ethylpiperazine, N-Ethylpiperazine, Piperazine, 1-ethyl-, 415308_ALDRICH, EINECS 226-166-6, NSC60707, SBB006719, LS-112626, TL8003488, InChI=1/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WGCYRFWNGRMRJA-UHFFFAOYSA-N


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