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1 2 [3]

• 2-Mercaptoacetic Acid

IUPAC Name: 2-sulfanylacetic acid | CAS Registry Number: 68-11-1
Synonyms: mercaptoacetic acid, thioglycolic acid, thioglycolate, Thiovanic acid, Mercaptoessigsaeure, Acetic acid, mercapto-, 2-Thioglycolic acid, Thioglykolsaeure, 2-Mercaptoacetate, 2-Mercaptoacetic acid, Thioglycollic acid, Sulfanylacetic acid, Glycolic acid, thio-, Mercaptoethanoic acid, Merkaptoessigsaeure, Acide thioglycolique, sJPhLPDIKTp@, Glycolic acid, 2-thio-, .alpha.-Mercaptoacetic acid, USAF CB-35

Molecular Formula:	C₂H₄O₂S	Molecular Weight:	92.116960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CWERGRDVMFNCDR-UHFFFAOYSA-N

• 2 - Piperidine Ethanol

IUPAC Name: 2-piperidin-2-ylethanol | CAS Registry Number: 1484-84-0
Synonyms: 2-PIPERIDINEETHANOL, 2-(2-Hydroxyethyl)piperidine, 2-Piperidine ethanol, 2-Piperidin-2-ylethanol, 433594_ALDRICH, NSC9261, NSC 9261, EINECS 216-059-2, AI3-36432, ST5330625, TL8001058, 103729-19-7

Molecular Formula:	C₇H₁₅NO	Molecular Weight:	129.200100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PTHDBHDZSMGHKF-UHFFFAOYSA-N

• 1,2-Propanediol

IUPAC Name: propane-1,2-diol | CAS Registry Number: 57-55-6
Synonyms: propylene glycol, 1,2-propanediol, Sirlene, propane-1,2-diol, Trimethyl glycol, Dowfrost, 2-Hydroxypropanol, Methylethyl glycol, Solargard P, 2,3-Propanediol, 1,2-Propylene glycol, Methyl glycol, Monopropylene glycol, propanediol, Methylethylene glycol, Isopropylene glycol, Solar Winter BAN, dl-Propylene glycol, 1,2-dihydroxypropane, alpha-Propyleneglycol

Molecular Formula:	C₃H₈O₂	Molecular Weight:	76.094420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N

• 1-Acetyl-4-(4-Hydroxyphenyl)-Piperazine

IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone | CAS Registry Number: 67914-60-7
Synonyms: Oprea1_786576, 511943_ALDRICH, 1-Acetyl-4-(4-hydroxyphenyl)piperazine, ZINC00105363, EINECS 267-744-8, CID712441, SBB003353, SDCCGMLS-0066236.P001, TL8004782

Molecular Formula:	C₁₂H₁₆N₂O₂	Molecular Weight:	220.267640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N

• 2-Cyano Pyridine

IUPAC Name: pyridine-2-carbonitrile | CAS Registry Number: 100-70-9
Synonyms: Picolinonitrile, 2-Cyanopyridine, 2-Pyridyl nitrile, 2-PYRIDINECARBONITRILE, Picolinic acid nitrile, Pyridine-2-carbonitrile, Pyridinecarbonitrile, Picolinonitrile (8CI), C94602_ALDRICH, 2-Pyridinecarboxylic acid, nitrile, CHEBI:27837, HSDB 5338, NSC59697, EINECS 202-880-3, NSC 59697, SBB008920, ZINC00404339, TL8007316, C02221, InChI=1/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4

Molecular Formula:	C₆H₄N₂	Molecular Weight:	104.109360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

• 4-Tertiary Butyl Phenol

IUPAC Name: 4-tert-butylphenol | CAS Registry Number: 98-54-4
Synonyms: Butylphen, 4-tert-Butylphenol, p-tert-Butylphenol, p-t-Butyl phenol, 4-t-Butylphenol, Phenol, p-tert-butyl-, p-sec-Butylphenol, p-terc.Butylfenol, PTBP, Ucar butylphenol 4-T, Caswell No. 130E, 4-(1,1-Dimethylethyl)phenol, 2-TERT-BUTYLPHENOL, Phenol, p-(tert-butyl)-, 4-tertiary-butylphenol, Ambap5870, Phenol, 4-(1,1-dimethylethyl)-, p-terc.Butylfenol [Czech], para-tertiary-butylphenol, Ucar butylphenol 4-T flake

Molecular Formula:	C₁₀H₁₄O	Molecular Weight:	150.217560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QHPQWRBYOIRBIT-UHFFFAOYSA-N

• 2,4-Xylenol

IUPAC Name: 2,4-dimethylphenol | CAS Registry Number: 105-67-9
Synonyms: 2,4-DIMETHYLPHENOL, m-Xylenol, Bacticin, Gallex, Phenol, 2,4-dimethyl-, 4,6-Dimethylphenol, asym.-m-Xylenol, 4-Hydroxy-m-xylene, Caswell No. 907A, Lysol Brand disinfectant, 2,4-Dimethyl phenol, Ambap4384, 1-Hydroxy-2,4-dimethylbenzene, RCRA waste no. U101, RCRA waste number U101, 4-Hydroxy-1,3-dimethylbenzene, Bulk Lysol Brand Disinfectant, CCRIS 721, HSDB 4253, MLS002152861

Molecular Formula:	C₈H₁₀O	Molecular Weight:	122.164400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KUFFULVDNCHOFZ-UHFFFAOYSA-N

• 4-Chlorobutyraldehyde diethyl acetal

IUPAC Name: 4-chloro-1,1-diethoxybutane | CAS Registry Number: 6139-83-9
Synonyms: NCIOpen2_001659, NSC96467

Molecular Formula:	C₈H₁₇ClO₂	Molecular Weight:	180.672380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JGGRHRMHOUWCDX-UHFFFAOYSA-N

• 4-Amino-N-methylbenzenemethanesulfonamide

IUPAC Name: 1-(4-aminophenyl)-N-methylmethanesulfonamide | CAS Registry Number: 109903-35-7
Synonyms: 1-(4-aminophenyl)-N-methylmethanesulfonamide, ST50825454, {[(4-aminophenyl)methyl]sulfonyl}methylamine, ZINC02567350, PubChem3014, AC1MCSLQ, ACMC-1BNZX, SureCN631823, 647179_ALDRICH, BEN105, CTK4A6697, MolPort-001-766-011, 4-Amino-N-methylbenzylsulphonamide, ANW-44419, SBB092638, AKOS009158415, AG-D-26963, MCULE-7276367995, 4-Amino-N-methyl-alpha-toluenesulfonamide, 4-Animophenyl-N-methyl methanesulfonamide

Molecular Formula:	C₈H₁₂N₂O₂S	Molecular Weight:	200.258080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CIWNHTXCBHTWRV-UHFFFAOYSA-N

• 1,3-Propanediol

IUPAC Name: propane-1,3-diol | CAS Registry Number: 504-63-2
Synonyms: Trimethylene glycol, 1,3-PROPANEDIOL, Propane-1,3-diol, 2-Deoxyglycerol, omega-Propanediol, 1,3-Dihydroxypropane, 1,3-Propylenediol, beta-Propylene glycol, 1,3-Propylene glycol, 2-(Hydroxymethyl)ethanol, .beta.-Propylene glycol, .omega.-Propanediol, 1,3-PROPANDIOL, P50404_ALDRICH, 533734_ALDRICH, 81780_FLUKA, CHEBI:16109, EINECS 207-997-3, CPD-347, NSC 65426

Molecular Formula:	C₃H₈O₂	Molecular Weight:	76.094420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YPFDHNVEDLHUCE-UHFFFAOYSA-N

• 2-Tert-Butylphenol

IUPAC Name: 2-tert-butylphenol | CAS Registry Number: 88-18-6
Synonyms: 2-t-Butylphenol, 2-TERT-BUTYLPHENOL, o-t-Butylphenol, o-tert-Butylphenol, Phenol, o-tert-butyl-, Phenol, 2-(1,1-dimethylethyl)-, 2-tert-Butyl-phenol, TERT-BUTYLPHENOL, Phenol, o-(tert-butyl)-, 2-(1,1-Dimethylethyl)phenol, 2-tert-Butyl-1-hydroxybenzene, CCRIS 5825, B99405_ALDRICH, HSDB 5255, MLS001055450, Benzene, 1-tert-butyl-2-hydroxy-, Phenol, (1,1-dimethylethyl)-, EINECS 201-807-2, CID6923, CHEBI:278327

Molecular Formula:	C₁₀H₁₄O	Molecular Weight:	150.217560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WJQOZHYUIDYNHM-UHFFFAOYSA-N

• 1,3-Diaminopropane

IUPAC Name: propane-1,3-diamine | CAS Registry Number: 109-76-2
Synonyms: 1,3-Propanediamine, 1,3-diaminopropane, Trimethylenediamine, Propane-1,3-diamine, Propandiamine, TMEDA, 1,3-Propylenediamine, alpha,omega-Propanediamine, Spectrum_001150, SpecPlus_000418, Spectrum4_001903, Spectrum5_000586, WLN: Z3Z, CCRIS 4054, D23602_ALDRICH, KBioGR_002492, KBioSS_001630, DivK1c_006514, CID428, NSC 8154

Molecular Formula:	C₃H₁₀N₂	Molecular Weight:	74.124900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N

• 1-Decanol

IUPAC Name: decan-1-ol | CAS Registry Number: 112-30-1
Synonyms: n-Decanol, 1-DECANOL, n-Decyl alcohol, Decyl alcohol, Nonylcarbinol, Capric alcohol, Caprinic alcohol, Royaltac, Decanol, Antak, Decan-1-ol, n-Nonylcarbinol, n-Decatyl alcohol, n-Decan-1-ol, 1-Hydroxydecane, Sprout-Off, Alcohol C-10, Contak, Delete, Decylic alcohol

Molecular Formula:	C₁₀H₂₂O	Molecular Weight:	158.281080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N

• 1,1,1,3,3,3-Hexamethyldisilazane

IUPAC Name: [dimethyl-(trimethylsilylamino)silyl]methane | CAS Registry Number: 999-97-3
Synonyms: Hexamethyldisilazane, Hexamethylsilazane, HMDS, Tri-Sil, Silazane HMN, Bis(trimethylsilyl)amine, HEXAMETHYLSIDILIZANE, Lithium hexamethyldisilazane, N-Lithiohexamethyldisilazane, DISILAZANE,HEXAMETHYL, CCRIS 2456, HSDB 7226, Disilazane, 1,1,1,3,3,3-hexamethyl-, Bis(trimethylsilyl)amidolithium, Dow Corning product Z-6079, Lithiumbis(trimethylsilyl)amine, 379212_ALDRICH, 40215_RIEDEL, 440191_ALDRICH, Bis(trimethylsilyl)amido lithium

Molecular Formula:	C₆H₁₉NSi₂	Molecular Weight:	161.392760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FFUAGWLWBBFQJT-UHFFFAOYSA-N

• 2-Chloroacrylonitrile

IUPAC Name: 2-chloroprop-2-enenitrile | CAS Registry Number: 920-37-6
Synonyms: Chloroacrylonitrile, Acrylonitrile, 2-chloro-, 2-Propenenitrile, 2-chloro-, 2-Chloro-2-propenenitrile, WLN: NCYGU1, .alpha.-Chloroacrylonitrile, CCRIS 6869, C22369_ALDRICH, 2-CHLORO-2-PROPENITRILE, EINECS 213-055-2, NSC 511714, CID70198, BRN 0773744, NSC511714, ZINC01603500, LS-14754, InChI=1/C3H2ClN/c1-3(4)2-5/h1H, 4-02-00-01484 (Beilstein Handbook Reference)

Molecular Formula:	C₃H₂ClN	Molecular Weight:	87.507680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OYUNTGBISCIYPW-UHFFFAOYSA-N

• 1-(2,3-Dimethylphenyl)piperazine hydrochloride

IUPAC Name: 1-(2,3-dimethylphenyl)piperazine;hydrochloride | CAS Registry Number: 80836-96-0
Synonyms: 1-(2,3-DIMETHYLPHENYL)PIPERAZINE HYDROCHLORIDE, 1-(2,3-Xylyl)piperazine monohydrochloride, 1-(2,3-dimethylphenyl)-piperazine monohydrochloride, (2,3-dimethylphenyl)piperazine, chloride, PubChem8590, AGN-PC-00KJYT, SureCN1894847, KSC917S3L, 275182_ALDRICH, CTK8B7935, MolPort-003-251-311, BB_SC-6456, 1-(2,3-methylphenyl)piperazine HCl, ANW-58990, SBB000676, AKOS003852489, MCULE-2995736171, AC-15750, AK-51526, KB-146325

Molecular Formula:	C₁₂H₁₉ClN₂	Molecular Weight:	226.745660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SHOLVQVIKRVCGQ-UHFFFAOYSA-N

• 6-Tert-Butyl-Ortho-Cresol

IUPAC Name: 2-tert-butyl-6-methylphenol | CAS Registry Number: 2219-82-1
Synonyms: 6-tert-Butyl-o-cresol, o-tert-Butyl-o-cresol, o-Cresol, 6-tert-butyl-, 6-tert-Butyl-2-methylphenol, 2-Methyl-6-tert-butylphenol, 2-tert-Butyl-6-methylphenol, B97607_ALDRICH, Phenol, 2-tert-butyl-6-methyl-, 2-tert-Butyl-6-methyl-phenol, Phenol, 2-(1,1-dimethylethyl)-6-methyl-, EINECS 218-734-7, 6-T-BUTYL-2-METHYLPHENOL, NSC 78461, o-Cresol, 6-tert-butyl- (8CI), NSC78461, BRN 1862362, AI3-26294, LS-104172, 4-06-00-03396 (Beilstein Handbook Reference), InChI=1/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H

Molecular Formula:	C₁₁H₁₆O	Molecular Weight:	164.244140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BKZXZGWHTRCFPX-UHFFFAOYSA-N

• 2,2,2-Trifluoroethanol

IUPAC Name: 2,2,2-trifluoroethanol | CAS Registry Number: 75-89-8
Synonyms: Trifluoroethanol, Fluorinol 85, Ethanol, 2,2,2-trifluoro-, 2,2,2-TRIFLUOROETHANOL, Trifluoroethyl alcohol, 2,2,2-Trifluoroethyl alcohol, Alcohol, Trifluoroethyl, CF3CH2OH, WLN: Q1XFFF, Perfluoro-1,1-dihydroethanol, T63002_ALDRICH, NSC 451, beta,beta,beta-Trifluoroethyl alcohol, NSC451, 91683_FLUKA, 96924_FLUKA, CHEBI:42330, EINECS 200-913-6, ETHANOL,2,2,2-TRIFLUORO, 326747_SIAL

Molecular Formula:	C₂H₃F₃O	Molecular Weight:	100.039830 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RHQDFWAXVIIEBN-UHFFFAOYSA-N

• 3-Methyl-Butanone

IUPAC Name: 3-methylbutan-2-one | CAS Registry Number: 563-80-4
Synonyms: 2-Acetylpropane, Isopropyl methyl ketone, 2-Butanone, 3-methyl-, Methyl butanone-2, Methylbutanone, 3-Methylbutanone, 2-Acetyl propane, Methyl isopropyl ketone, MIPK, 3-METHYL-2-BUTANONE, 3-Methylbutan-2-one, 3-Methyl butanone, Ketone, isopropyl methyl, Methylbutanone (VAN), 2-Methyl-3-butanone, Caswell No. 555A, 46212_RIEDEL, NSC 9379, 59600_FLUKA, EINECS 209-264-3

Molecular Formula:	C₅H₁₀O	Molecular Weight:	86.132300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SYBYTAAJFKOIEJ-UHFFFAOYSA-N

• 1-(4-Chlorophenyl) Piperazine 2HCl

IUPAC Name: 1-(4-chlorophenyl)piperazine hydrochloride | CAS Registry Number: 38869-46-4
Synonyms: NSC71659, EINECS 254-165-0, SBB003262, 1-(4-Chlorophenyl)piperazine dihydrochloride

Molecular Formula:	C₁₀H₁₄Cl₂N₂	Molecular Weight:	233.137560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZHGRQBSZTVJDHU-UHFFFAOYSA-N

• 1(3-Chlorophenyl) Piperazine Monohydrochloride

IUPAC Name: 1-(3-chlorophenyl)piperazine hydrochloride | CAS Registry Number: 51639-49-7
Synonyms: m-CPP, C10H13ClN2.HCl, MLS001332529, MLS001332530, MLS002153364, 1-(3-Chlorophenyl)piperazine hydrochloride, 125180_ALDRICH, EINECS 235-976-9, 1-(3-Chlorophenyl)piperazinium chloride, EINECS 257-333-1, EINECS 265-718-0, NSC134746, SBB003261, SMR000875230, 1-(3-Chlorophenyl)piperazine monohydrochloride, Piperazine, 1-(3-chlorophenyl)-, monohydrochloride, LS-111322, TL8004644, 1-(3-Chlorophenyl)piperazine dihydrochloride, 1-(M-CHLOROPHENYL)PIPERAZINE HYDROCHLORIDE

Molecular Formula:	C₁₀H₁₄Cl₂N₂	Molecular Weight:	233.137560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MHXPYWFZULXYHT-UHFFFAOYSA-N

• 2,6-Dimethylphenol

IUPAC Name: 2,6-dimethylphenol | CAS Registry Number: 576-26-1
Synonyms: 2,6-Xylenol, Phenol, 2,6-dimethyl-, Vic-m-xylenol, 2,6-DIMETHYLPHENOL, 2,6-Dimethyl phenol, vic.-m-Xylenol, Xylenol 235, Phenol, dimethyl-, 2-Hydroxy-m-xylene, Dimethylphenol, 2,6-, 2,6-Dmp, Ambap5776, 1-Hydroxy-2,6-dimethylbenzene, FEMA No. 3249, 2-Hydroxy-1,3-dimethylbenzene, HSDB 5697, D174904_ALDRICH, D175005_ALDRICH, W324906_ALDRICH, WLN: QR B1 F1

Molecular Formula:	C₈H₁₀O	Molecular Weight:	122.164400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N

• 4-Aminobenzotrifluoride

IUPAC Name: 4-(trifluoromethyl)aniline | CAS Registry Number: 455-14-1
Synonyms: p-Aminobenzotrifluoride, p-Trifluoromethylaniline, 4-Trifluoromethylaniline, 4-(Trifluoromethyl)aniline, Benzenamine, 4-(trifluoromethyl)-, WLN: ZR CXFFF, 4-(Trifluoromethyl)benzenamine, Aniline, p-(trifluoromethyl)-, p-(Trifluoromethyl)aniline, 224936_ALDRICH, 07071_FLUKA, alpha,alpha,alpha-Trifluoro-p-toluidine, EINECS 207-236-5, NSC 10337, alpha,alpha,alpha-Trifluoro-p-anisidine, JRD-0149, NSC10337, BRN 1564853, SBB003956, ZINC00164442

Molecular Formula:	C₇H₆F₃N	Molecular Weight:	161.124450 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ODGIMMLDVSWADK-UHFFFAOYSA-N

• 4-Bromo phenyl methyl sulfone

IUPAC Name: 1-bromo-4-methylsulfonylbenzene | CAS Registry Number: 3466-32-8
Synonyms: 4-Bromophenyl methyl sulfone, p-Bromophenyl methyl sulfone, Methyl 4-bromophenyl sulfone, Sulfone, p-bromophenyl methyl, TimTec1_001578, 556327_ALDRICH, 1-Bromo-4-(methylsulphonyl)benzene, Benzene, 1-bromo-4-(methylsulfonyl)-, CID77014, EINECS 222-421-0, NSC174742, SBB006294, ZINC00075328, Sulfone, p-bromophenyl methyl (8CI), NSC 174742, NCGC00174282-01, TL806297, Benzene, 1-bromo-4-(methylsulfonyl)- (9CI), InChI=1/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H

Molecular Formula:	C₇H₇BrO₂S	Molecular Weight:	235.098280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FJLFSYRGFJDJMQ-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl)piperazine hydrochloride

IUPAC Name: 1-(2,3-dichlorophenyl)piperazine;hydrochloride | CAS Registry Number: 119532-26-2
Synonyms: 41202-77-1, 1-(2,3-Dichlorophenyl)piperazine monohydrochloride, SBB003054, 1-(2,3-Dichlorophenyl)-piperazine hydrochloride, 1-(2,3-dichlorophenyl)-piperazine monohydrochloride, (2,3-dichlorophenyl)piperazine, chloride, zlchem 392, PubChem8589, SureCN246338, AGN-PC-00D0JT, ACMC-209a34, 679135_ALDRICH, CTK0H4814, ZLC0238, MolPort-001-769-710, ACN-S002575, ACN-S002576, ACT02157, ANW-17342, FC0193

Molecular Formula:	C₁₀H₁₃Cl₃N₂	Molecular Weight:	267.582620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N