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Advanced Synthesis Technologies, S. A.

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Profile: Advanced Synthesis Technologies, S. A provides organic chemicals, pharmaceuticals intermediates, toll processing, distillation and combination chemistry. Our products include 2-acetylbenzoic acid, amyl valerate, 2-ethoxy-3-methylpyrazine and 4-methyl valeric acid. We offer 2-nonenoic acid, norbornene epoxide, 2-pyridylacetonitrile, triethylsilanol and vinyl magnesium bromide products.

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• Dimethyltrimethylene Glycol
IUPAC Name: 2,2-dimethylpropane-1,3-diol | CAS Registry Number: 126-30-7
Synonyms: Dimethylolpropane, Neopentanediol, Neopentyl glycol, Neol, Neopentylene glycol, Neopentylglycol, Hydroxypivalyl alcohol, NPG Glycol, Dimethyltrimethylene glycol, 1,3-Propanediol, 2,2-dimethyl-, 2,2-Dimethyl-1,3 propanediol, 2,2-Dimethylpropane-1,3-diol, CCRIS 3273, 2,2-Dimethyltrimethylene glycol, CBDivE_004836, 2,2-DIMETHYL-1,3-PROPANEDIOL, 538256_ALDRICH, 2,3-Dimethyl-1,3-propanediol, 41510_FLUKA, EINECS 204-781-0

Molecular Formula: C5H12O2Molecular Weight: 104.147580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SLCVBVWXLSEKPL-UHFFFAOYSA-N

• Dipicolinic Acid
IUPAC Name: pyridine-2,6-dicarboxylic acid | CAS Registry Number: 499-83-2
Synonyms: Dipicolinic acid, Dipicolinate, 2,6-Pyridinedicarboxylic acid, 2,6-Dipicolinic acid, zinc dipicolinate, 2,6-Dicarboxypyridine, DPAC, PYRIDINE-2,6-DICARBOXYLIC ACID, pyridine carboxylate, 6d, 2,6-pyridinedicarboxylate, Oprea1_533632, C7H5NO4, P63808_ALDRICH, MLS000080748, NSC 176, ARONIS021542, IFLab1_001781, NSC176, 02321_FLUKA, CHEBI:46837

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WJJMNDUMQPNECX-UHFFFAOYSA-N

• Dl-1,4-Dichloro-2,3-Butanediol
IUPAC Name: 1,4-dichlorobutane-2,3-diol | CAS Registry Number: 2419-73-0
Synonyms: 1,4-Dichlorobutane-2,3-diol, 2,3-Butanediol, 1,4-dichloro-, EINECS 219-338-7, CID102809, ZINC02510085, AI3-61873

Molecular Formula: C4H8Cl2O2Molecular Weight: 159.011120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SAUBRJOIKMVSRU-UHFFFAOYSA-N

• DTE
IUPAC Name: (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol | CAS Registry Number: 6892-68-8
Synonyms: Dithioerythritol, Cleland's reagent, 1,4-Dithioerythritol, D8161_SIGMA, D8255_SIAL, D9680_SIAL, 43794_FLUKA, CHEBI:17456, erythro-1,4-Dimercapto-2,3-butanediol, ZINC00895439, ZINC03852210, erythro-1, 4-dimercapto-2,3-butanediol, erythro-2,3-Dihydroxy-1,4-butanedithiol, (2R,3S)-1,4-disulfanylbutane-2,3-diol, (2R*,3S*)-1,4-dimercapto-2,3-butanediol, (2R*,3S*)-1,4-dimercaptobutane-2,3-diol, (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C00950, DTU, DTT

Molecular Formula: C4H10O2S2Molecular Weight: 154.251000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VHJLVAABSRFDPM-ZXZARUISSA-N

• Esterification
IUPAC Name: butyloxonio(trifluoro)boranuide

Molecular Formula: C4H10BF3OMolecular Weight: 141.928 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JDQOMAIUNGVENK-UHFFFAOYSA-N

• Fluoronaphthalene
IUPAC Name: 1-fluoronaphthalene | CAS Registry Number: 321-38-0
Synonyms: Naphthalene, 1-fluoro-, 1-FLUORONAPHTHALENE, alpha-Fluoronaphthalene, .alpha.-Fluoronaphthalene, 1-Fluornaftalen [Czech], WLN: L66J BF, 196657_ALDRICH, 442266_SUPELCO, NSC 4690, EINECS 206-287-0, NSC4690, JRD-1263, BRN 1906413, LS-94702, TL8002443, 4-05-00-01657 (Beilstein Handbook Reference), InChI=1/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula: C10H7FMolecular Weight: 146.160983 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N

• Hexadecanolactone
IUPAC Name: 17-oxacycloheptadecan-1-one | CAS Registry Number: 109-29-5
Synonyms: Hexadecanolide, Cyclohexadecanolide, Dihydroambrettolide, 16-Hexadecanolactone, Juniperic acid lactone, 1,16-Hexadecanolide, 16-Hexadecanolide, 1,16-Hexadecalactone, 1,16-Hexadecanolactone, OXACYCLOHEPTADECAN-2-ONE, Ambap7738, H0893_SIGMA, JUNIPERIC ACID, LACTONE, 540757_ALDRICH, 16-Hydroxyhexadecanoic acid lactone, NSC33546, EINECS 203-662-0, NSC 33546, BRN 0148631, AI3-37208

Molecular Formula: C16H30O2Molecular Weight: 254.408200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LOKPJYNMYCVCRM-UHFFFAOYSA-N

• Hexamethylene Diisocyanate (HDI)
IUPAC Name: 1,6-diisocyanatohexane | CAS Registry Number: 822-06-0
Synonyms: 1,6-Diisocyanatohexane, Hexane, 1,6-diisocyanato-, HMDI, Desmodur H, HDI cpd, Hexane 1,6-diisocyanate, HEXAMETHYLENE DIISOCYANATE, 1,6-Hexamethylene diisocyanate, 1,6-Hexylene diisocyanate, 1,6-hexane diisocyanate, Isocyanic acid, hexamethylene ester, WLN: OCN6NCO, 1,6-Hexanediol diisocyanate, Szesciometylenodwuizocyjanian, Hexamethylendiisokyanat [Czech], Hexamethylene-1,6-diisocyanate, TL 78, Metyleno-bis-fenyloizocyjanian, HSDB 6134, D124702_ALDRICH

Molecular Formula: C8H12N2O2Molecular Weight: 168.193080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RRAMGCGOFNQTLD-UHFFFAOYSA-N

• γ-Aminobutyric acid
IUPAC Name: 4-aminobutanoic acid | CAS Registry Number: 56-12-2
Synonyms: 4-Aminobutanoic acid, 4-aminobutyric acid, Piperidic acid, Gammalon, Piperidinic acid, GABA, Gammalone, Mielomade, Aminalon, Gaballon, Gammasol, Mielogen, Gamarex, Gammar, gamma-aminobutyric acid, Reanal, 4-aminobutyrate, 4-aminobutanoate, Gamastan, Gammagee

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

InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

• Imidazolyl-4-Ethanol
IUPAC Name: 2-(1H-imidazol-5-yl)ethanol | CAS Registry Number: 872-82-2
Synonyms: Histaminol, IMET, Imidazolyl-4-ethanol, 1H-Imidazole-4-ethanol, 2-(1H-imidazol-5-yl)ethanol, MolPort-000-004-513, ZINC04533393, CID3083655

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HEEACTTWORLLPM-UHFFFAOYSA-N

• L(-)-Mandelic Acid
IUPAC Name: (2S)-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 17199-29-0
Synonyms: L-mandelic acid, (S)-Mandelic acid, (S)-Mandelate, D-Mandelic acid, (S)-Mandelsaeure, L-()-Mandelic acid, MANDELIC ACID, S(+)-Mandelic Acid, (S)-()-Mandelic acid, Hydroxy(phenyl)acetic acid, M2004_ALDRICH, (S)-2-Hydroxy-2-phenylacetate, (S)-mandelic acid, MLS000069517, L-(+)-MANDELIC ACID, (S)-2-Hydroxy-2-phenylacetic acid, 63462_FLUKA, CHEBI:32800, (2S)-hydroxy(phenyl)acetic acid, CPD-122

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IWYDHOAUDWTVEP-ZETCQYMHSA-N

• L-Aspartic acid
IUPAC Name: (2S)-2-aminobutanedioic acid | CAS Registry Number: 56-84-8
Synonyms: L-aspartic acid, aspartic acid, Asparagic acid, aspartate, Asparaginic acid, Aspatofort, L-Aspartinsaeure, L-Asparaginsaeure, L-Asparagic acid, L-Asparaginsyra, Acidum asparticum, L-Asparaginic acid, Aminosuccinic acid, L-aspartate, (2S)-Aspartic acid, (S)-Aspartic acid, L-Aminosuccinic acid, Polysuccinimide, H-Asp-OH, Aspartic acid, L-

Molecular Formula: C4H7NO4Molecular Weight: 133.102680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-N

• L-Valine ethyl ester hydrochloride
IUPAC Name: ethyl (2S)-2-amino-3-methylbutanoate hydrochloride | CAS Registry Number: 17609-47-1
Synonyms: Ethyl L-valinate hydrochloride, 220698_ALDRICH, ALD-N000029, CID87181, EINECS 241-580-7

Molecular Formula: C7H16ClNO2Molecular Weight: 181.660440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PQGVTLQEKCJXKF-RGMNGODLSA-N

• M-diethynylbenzene
IUPAC Name: 1,3-diethynylbenzene | CAS Registry Number: 1785-61-1
Synonyms: 1,3-Diethynylbenzene, Benzene, 1,3-diethynyl-, Benzene,1,3-diethynyl-, 632104_ALDRICH, SBB008746, InChI=1/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8

Molecular Formula: C10H6Molecular Weight: 126.154640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PNXLPYYXCOXPBM-UHFFFAOYSA-N

• Monoglyme-Ethylene Glycol Dimethyl Ether
IUPAC Name: 1,2-dimethoxyethane | CAS Registry Number: 110-71-4
Synonyms: Monoglyme, Glyme, Egdme, 2,5-Dioxahexane, Dimethyl Cellosolve, 1,2-DIMETHOXYETHANE, Dimethoxyethane, Dimethylglycol, Dimethylcellosolve, Ethane, 1,2-dimethoxy-, Hisolve MMM, mono-Glyme, Glycol dimethyl ether, Ansul ether 121, Ethylene dimethyl ether, DME (glycol ether), Ethylene glycol dimethyl ether, 1,2-Dimethoxyethan, Ethylenglycoldimethylether, Ethylenglykoldimethylether

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N

• Myristyl Bromide
IUPAC Name: 1-bromotetradecane | CAS Registry Number: 112-71-0
Synonyms: Myristyl bromide, 1-Bromotetradecane, Tetradecyl bromide, Tetradecane, 1-bromo-, n-Tetradecyl bromide, 1-Tetradecyl bromide, n-Tetradecyl-1-bromide, 1-BROMO-N-TETRADECANE, 195332_ALDRICH, 18390_FLUKA, CID8208, NSC83468, EINECS 203-999-3, NSC 83468

Molecular Formula: C14H29BrMolecular Weight: 277.284060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KOFZTCSTGIWCQG-UHFFFAOYSA-N

• N,(2-Aminoethyl)-Piperazine
IUPAC Name: 2-piperazin-1-ylethanamine | CAS Registry Number: 140-31-8
Synonyms: 1-Piperazineethanamine, Aminoethylpiperazine, N-Aminoethylpiperazine, 1-Piperazineethylamine, Piperazineethanamine, 1-(2-Aminoethyl)piperazine, N-(2-Aminoethyl)piperazine, 1-AMINOETHYLPIPERAZINE, 2-Piperazinoethylamine, Piperazine, 1-(2-aminoethyl)-, USAF DO-46, 2-piperazin-1-ylethanamine, 2-Piperazin-1-ylethylamine, N-(Aminoethyl)piperazine, N-(beta-Aminoethyl)piperazine, CCRIS 6678, A55209_ALDRICH, WLN: T6M DNTJ D2Z, HSDB 5630, MLS000736991

Molecular Formula: C6H15N3Molecular Weight: 129.203400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IMUDHTPIFIBORV-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,N',N' -Tetramethylurea
IUPAC Name: 1,1,3,3-tetramethylurea | CAS Registry Number: 632-22-4
Synonyms: Temur, TETRAMETHYLUREA, Urea, tetramethyl-, Tetramethyl Urea, Tetra methyl urea, 1,1,3,3-Tetramethylurea, Tetramethyluree [French], Ambap4611, N,N,N',N'-Tetramethylurea, Urea, 1,1,3,3-tetramethyl-, HSDB 129, T24503_ALDRICH, TPC-I008, EINECS 211-173-9, urea, N,N,N',N'-tetramethyl-, WLN: 1N1&VN1&1, NSC 91488, AIDS018855, AIDS-018855, NSC91488

Molecular Formula: C5H12N2OMolecular Weight: 116.161580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AVQQQNCBBIEMEU-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-Amyl triphenylphosphonium bromide
IUPAC Name: pentyl(triphenyl)phosphanium bromide | CAS Registry Number: 21406-61-1
Synonyms: Pentyltriphenylphosphonium bromide, EINECS 244-374-5, ST5405465

Molecular Formula: C23H26BrPMolecular Weight: 413.330301 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VAUKWMSXUKODHR-UHFFFAOYSA-M

• N-Dodecyl triphenylphosphonium bromide
IUPAC Name: dodecyl(triphenyl)phosphanium bromide | CAS Registry Number: 15510-55-1
Synonyms: Dodecyltriphenylphosphonium, Dodecyltriphenylphosphonium bromide, 172626_ALDRICH, CID84955, EINECS 239-538-8, ST5409941

Molecular Formula: C30H40BrPMolecular Weight: 511.516361 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NSIFOGPAKNSGNW-UHFFFAOYSA-M

• N-Hexyl Bromide
IUPAC Name: 1-bromohexane | CAS Registry Number: 111-25-1
Synonyms: n-Hexyl bromide, Hexyl bromide, Bromohexane, 1-BROMOHEXANE, Hexane, 1-bromo-, 1-Hexyl bromide, NCIOpen2_000490, B68240_ALDRICH, EINECS 203-850-2, NSC 71206, NSC71206, AI3-28588, LS-75012, InChI=1/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H, 25495-91-4

Molecular Formula: C6H13BrMolecular Weight: 165.071420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MNDIARAMWBIKFW-UHFFFAOYSA-N

• N-Methyl-4-Piperidone
IUPAC Name: 1-methylpiperidin-4-one | CAS Registry Number: 1445-73-4
Synonyms: N-Methyl-4-piperidone, 1-Methyl-4-piperidone, 4-Piperidone, 1-methyl-, 1-Methyl-4-piperidione, 1-methylpiperidin-4-one, N-Methyl-4-piperidinone, 1-Methyl-4-piperidinone, 4-PIPERIDINONE, 1-METHYL-, 130036_ALDRICH, NSC66491, CID74049, EINECS 215-895-5, ST5214361, TL8000982, InChI=1/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H

Molecular Formula: C6H11NOMolecular Weight: 113.157640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HUUPVABNAQUEJW-UHFFFAOYSA-N

• N-Methylpyrrolidone
IUPAC Name: 1-methylpyrrolidin-2-one | CAS Registry Number: 872-50-4
Synonyms: M-Pyrol, Methylpyrrolidone, 1-Methylpyrrolidinone, 1-Methylpyrrolidone, N-Methyl-2-pyrrolidone, 2-Pyrrolidinone, 1-methyl-, 1-Methyl-2-pyrrolidone, N-Methylpyrrolidinone, 1-METHYL-2-PYRROLIDINONE, N-Methyl-2-pyrrolidinone, Methylpyrrolidinone, 1-methylpyrrolidin-2-one, 1-Methyl-5-pyrrolidinone, Methylpyrrolidone, N-, 1-Methylazacyclopentan-2-one, Methyl-2-pyrrolidinone, N-Methyl-gamma-butyrolactam, Pyrrolidinone, methyl-, 2-Pyrrolidinone, methyl-, Norleucine, 5-oxo-, DL-

Molecular Formula: C5H9NOMolecular Weight: 99.131060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N

• n-Octyl Pyrrolidone
IUPAC Name: 1-octylpyrrolidin-2-one | CAS Registry Number: 2687-94-7
Synonyms: N-Octylpyrrolidone, N-Octylpyrrolidinone, 1-Octyl-2-pyrrolidone, 1-Octyl-2-pyrrolidinone, 2-Pyrrolidinone, 1-octyl-, Surfadone LP-100 surfactant, 332186_ALDRICH, 1-Octyl-2-pyrrolidon [Dutch], 1-Octyl-2-pyrrolidon [Danish], 1-Octyl-2-pyrrolidon [German], 1-Octyl-2-pyrrolidone [French], 1-Octil-2-pirrolidona [Spanish], 1-Ottil-2-pirrolidone [Italian], 1-Octil-2-pirrolidona [Portuguese], BRN 1526318, EE4037008, LS-138948, 5-21-06-00330 (Beilstein Handbook Reference)

Molecular Formula: C12H23NOMolecular Weight: 197.317120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WPPOGHDFAVQKLN-UHFFFAOYSA-N

• N-Propane Phosphonic Cyclic Anhydride
IUPAC Name: 1,3,5-tripropyl-2,4,6-trioxa-1$l^{5},3$l^{5},5$l^{5}-triphosphacyclohexane 1,3,5-trioxide | CAS Registry Number: 68957-94-8
Synonyms: 431303_ALDRICH, 81801_FLUKA, Propylphosphonic anhydride solution, ZINC02567892, 1-Propanephosphonic anhydride solution, 2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide, 1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide, 2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane 2,4,6-trioxide, 2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane-2,4,6-trioxide solution

Molecular Formula: C9H21O6P3Molecular Weight: 318.180723 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PAQZWJGSJMLPMG-UHFFFAOYSA-N

• N-Triacontanol
IUPAC Name: triacontan-1-ol | CAS Registry Number: 593-50-0
Synonyms: 1-Triacontanol, Myricyl alcohol, Melissyl alcohol, n-Triacontanol, Triacontan-1-ol, Triacontanol-1, Triacontyl alcohol, triacontanyl alcohol, 1-Hydroxytriacontane, Myricyl alcohol (VAN), Ambap155, T3777_SIGMA, CHEBI:28409, EINECS 209-794-5, NSC405588, NSC 402492, NSC 405588, CPD-7877, LMFA05000006, NSC402492

Molecular Formula: C30H62OMolecular Weight: 438.812680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: REZQBEBOWJAQKS-UHFFFAOYSA-N

• N12N
IUPAC Name: dodecane-1,12-diamine | CAS Registry Number: 2783-17-7
Synonyms: Dodecyldiamine, 1,12-Diaminododecane, Dodecamethylenediamine, 1,12-Diamindodecane, 1,12-DODECANEDIAMINE, 1,12-Dodecamethylenediamine, 1,12'-Dodecylenediamine, 1,12-Dodecylenediamine, 1,12'-Dodecamethylenediamine, D16401_ALDRICH, EINECS 220-489-6, NSC 55050, NSC 59861, NSC55050, NSC59861, BRN 1742765, LS-63440, 4-04-00-01376 (Beilstein Handbook Reference), 15536-18-2, 95931-03-6

Molecular Formula: C12H28N2Molecular Weight: 200.364120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QFTYSVGGYOXFRQ-UHFFFAOYSA-N

• Neopentyl Alcohol
IUPAC Name: 2,2-dimethylpropan-1-ol | CAS Registry Number: 75-84-3
Synonyms: tert-Butylcarbinol, Neopentanol, Neoamyl alcohol, tert-Butyl carbinol, NEOPENTYL ALCOHOL, 2,2-Dimethyl-1-propanol, 2,2-Dimethylpropanol, 1-Propanol, 2,2-dimethyl-, 2,2-dimethylpropan-1-ol, 2,2-Dimethylpropyl alcohol, N7206_ALDRICH, HSDB 103, 41520_FLUKA, EINECS 200-907-3, ZINC02041291, AI3-20879, InChI=1/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H

Molecular Formula: C5H12OMolecular Weight: 88.148180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KPSSIOMAKSHJJG-UHFFFAOYSA-N

• Nitration
IUPAC Name: benzene

Molecular Formula: C6H6Molecular Weight: 78.111840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N

• Octene-1
IUPAC Name: oct-1-ene | CAS Registry Number: 111-66-0
Synonyms: Caprylene, 1-OCTENE, alpha-Octene, Octylene, 1-Caprylene, .alpha.-Octene, n-1-Octene, 1-Octylene, alpha-Octylene, Oct-1-ene, .alpha.-Octylene, Octene (petroleum), OCTENE-1, Alkenes, C8-9 alpha-, O4806_ALDRICH, Alkenes, C7-9, C8-rich, HSDB 1084, 442274_SUPELCO, NSC 8457, 74900_FLUKA

Molecular Formula: C8H16Molecular Weight: 112.212640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KWKAKUADMBZCLK-UHFFFAOYSA-N

• Ortho Methylpyrazine
IUPAC Name: 2-methylpyrazine | CAS Registry Number: 109-08-0
Synonyms: Methylpyrazine, Pyrazine, methyl-, 2-METHYLPYRAZINE, Pyrazine, 2-methyl-, 2-Methyl-1,4-diazine, FEMA No. 3309, CCRIS 2927, WLN: T6N DNJ B1, M75608_ALDRICH, W330906_ALDRICH, EINECS 203-645-8, NSC 30412, AIDS069645, AIDS-069645, NSC30412, NSC49138, ZINC01661081, AI3-36550, LS-2959, InChI=1/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N

• P-Fluoronitrobenzene
IUPAC Name: 1-fluoro-4-nitrobenzene | CAS Registry Number: 350-46-9
Synonyms: p-Fluoronitrobenzene, 4-Fluoronitrobenzene, p-Nitrofluorobenzene, 4-Nitrofluorobenzene, Benzene, 1-fluoro-4-nitro-, 1-FLUORO-4-NITROBENZENE, 1-Nitro-4-fluorobenzene, 4-Fluoro-1-nitrobenzene, Ambap3154, 1,4-Fluoronitrobenzene, WLN: WNR DF, F11204_ALDRICH, HSDB 2735, 47170_FLUKA, EINECS 206-502-8, NSC 10281, NSC10281, ZINC01706157, LS-30358, TL8002611

Molecular Formula: C6H4FNO2Molecular Weight: 141.099863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WFQDTOYDVUWQMS-UHFFFAOYSA-N

• Para Dibromobutane
IUPAC Name: 1,4-dibromobutane | CAS Registry Number: 110-52-1
Synonyms: Tetramethylene dibromide, 1,4-DIBROMOBUTANE, Butane, 1,4-dibromo-, Tetramethylenebromide, 1,4-Dibrombutan, alpha,omega-Dibromobutane, 1,4-Dibrombutan [German], WLN: E4E, CCRIS 8917, NCIOpen2_003230, 140805_ALDRICH, EINECS 203-775-5, NSC 71435, NSC71435, BRN 1071199, AI3-14617, LS-45685, 4-01-00-00267 (Beilstein Handbook Reference), InChI=1/C4H8Br2/c5-3-1-2-4-6/h1-4H, DBB

Molecular Formula: C4H8Br2Molecular Weight: 215.914320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ULTHEAFYOOPTTB-UHFFFAOYSA-N

• Pentafluoro-1-Propanol
IUPAC Name: 2,2,3,3,3-pentafluoropropan-1-ol | CAS Registry Number: 422-05-9
Synonyms: PFPOH, 1,1-Dihydroperfluoropropanol, C2F5CH2OH, WLN: Q1XFFXFFF, 2,2,3,3,3-Pentafluoro-1-propanol, PERFLUORODIHYDROPROPANOL, 257478_ALDRICH, EINECS 207-012-7, CID9872, NSC 66413, 1-Propanol, 2,2,3,3,3-pentafluoro-, 2,2,3,3,3-PENTAFLUOROPROPANOL, NSC66413, BRN 1743133, ZINC01693868, BBR-008752, 1H, 1H-PENTAFLUORO-1-PROPANOL, LS-122608, 4-01-00-01438 (Beilstein Handbook Reference), 3S210836

Molecular Formula: C3H3F5OMolecular Weight: 150.047336 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: PSQZJKGXDGNDFP-UHFFFAOYSA-N

• Pentane-1,2-diol
IUPAC Name: pentane-1,2-diol | CAS Registry Number: 5343-92-0
Synonyms: 1,2-Pentanediol, 260282_ALDRICH, NSC513, 76891_FLUKA, EINECS 226-285-3, BRN 1719151, AI3-03317, LS-101643, 3-01-00-02191 (Beilstein Handbook Reference), 91049-43-3

Molecular Formula: C5H12O2Molecular Weight: 104.147580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WCVRQHFDJLLWFE-UHFFFAOYSA-N

• Phenidone
IUPAC Name: 1-phenylpyrazolidin-3-one | CAS Registry Number: 92-43-3
Synonyms: Fenidon, 1-Phenyl-3-pyrazolidone, 3-Pyrazolidinone, 1-phenyl-, 1-Phenyl-3-oxopyrazolidine, 1-Phenylpyrazolid-3-one, WLN: T5NMVTJ AR, 1-PHENYL-3-PYRAZOLIDINONE, ChemDiv3_006595, 2-Pyrazolin-3-ol, 1-phenyl-, CCRIS 3624, TimTec1_001225, 1-Phenyl-pyrazolidin-3-one, Oprea1_428400, P3441_SIGMA, 127914_ALDRICH, ARONIS011043, C9H10N2O, 1-P-3-P, 79070_FLUKA, EINECS 202-155-1

Molecular Formula: C9H10N2OMolecular Weight: 162.188500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CMCWWLVWPDLCRM-UHFFFAOYSA-N

• Piperonyloyl Chloride
IUPAC Name: 1,3-benzodioxole-5-carbonyl chloride | CAS Registry Number: 25054-53-9
Synonyms: Piperonyloyl chloride, 378895_ALDRICH, ZINC02146909, BBV-186627, CID2734749

Molecular Formula: C8H5ClO3Molecular Weight: 184.576500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZRSGZIMDIHBXIN-UHFFFAOYSA-N

• Propyltriphenylphosphonium Bromide
IUPAC Name: tri(phenyl)-propylphosphanium | CAS Registry Number: 15912-75-1
Synonyms: Triphenylpropylphosphonium, 131563_ALDRICH, STOCK1S-53736, 82468_FLUKA, Propyltriphenylphosphonium bromide, Triphenylpropylphosphonium bromide, EINECS 240-056-5

Molecular Formula: C21H22P+Molecular Weight: 305.373141 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MSXNDXIAUQJHNS-UHFFFAOYSA-N

• Protocatechuic acid
IUPAC Name: 3,4-dihydroxybenzoic acid | CAS Registry Number: 99-50-3
Synonyms: protocatechuic acid, protocatechuate, Protocatehuic acid, 3,4-DIHYDROXYBENZOIC ACID, 1ykp, 3,4-dihydroxybenzoate, 4,5-Dihydroxybenzoic acid, Benzoic acid, 3,4-dihydroxy-, 4-Carboxy-1,2-dihydroxybenzene, 3,4-dihydrobenzoic acid, Protocatechuic acid polymer, CCRIS 6291, 3, 4-Dihydroxybenzoic acid, CID72, MLS000737807, 3-4-DIHYDROXYBENZOATE, C7H6O4, 37580_FLUKA, CHEBI:36062, EINECS 202-760-0

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-N

• Pyridine-2,6-dicarbaldehyde
IUPAC Name: pyridine-2,6-dicarbaldehyde | CAS Registry Number: 5431-44-7
Synonyms: 2,6-Pyridinedicarboxaldehyde, 2,6-Pyridine dialdehyde, 256005_ALDRICH, NSC13393, EINECS 226-589-6, ZINC00160529, TL8003562, InChI=1/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5

Molecular Formula: C7H5NO2Molecular Weight: 135.120100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PMWXGSWIOOVHEQ-UHFFFAOYSA-N

• Pyridine-2,6-Dimethanol
IUPAC Name: [6-(hydroxymethyl)pyridin-2-yl]methanol | CAS Registry Number: 1195-59-1
Synonyms: 2,6-Pyridinedimethanol, Pyridine-2,6-diyldimethanol, Oprea1_777136, 2,6-Bis-(hydroxymethyl)pyridine, 154369_ALDRICH, 2,6-Bis(hydroxymethyl)pyridine, NSC16571, EINECS 214-803-0, STK298894, ZINC00155372, P153, TL8000523, InChI=1/C7H9NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,9-10H,4-5H

Molecular Formula: C7H9NO2Molecular Weight: 139.151860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WWFMINHWJYHXHF-UHFFFAOYSA-N

• Pyromellitic Acid
IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid | CAS Registry Number: 89-05-4
Synonyms: PYROMELLITIC ACID, USAF XR-20, 1,2,4,5-Benzenetetracarboxylic acid, Pyromellitic acid hydrate, 1,2,4,5-Tetracarboxybenzene, B4007_ALDRICH, WLN: QVR BVQ DVQ EVQ, Buffer solution HPCE pH 7.7, NSC 6369, 82619_FLUKA, 83179_FLUKA, EINECS 201-879-5, CID6961, NSC6369, AIDS018150, 1,2,4,5-Benzene-tetracarboxylic acid, AIDS-018150, Sodium pyromellitate buffer solution, BRN 1887659, AI3-28523

Molecular Formula: C10H6O8Molecular Weight: 254.149840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: CYIDZMCFTVVTJO-UHFFFAOYSA-N

• Pyrrole-2-Carboxaldehyde
IUPAC Name: 1H-pyrrole-2-carbaldehyde | CAS Registry Number: 1003-29-8
Synonyms: 2-Formylpyrrole, Pyrrole-2-aldehyde, PYRROLE-2-CARBOXALDEHYDE, 1H-Pyrrole-2-carboxaldehyde, 2-Pyrrolecarbaldehyde, 2-Pyrrolylcarboxaldehyde, 2-Pyrrolecarboxaldehyde, Pyrrole-2-carbaldehyde, 1H-Pyrrole-2-carbaldehyde, P73404_ALDRICH, Pyrrole-2-carboxaldehyde (8CI), NSC66394, EINECS 213-705-5, NSC 66394, NSC112885, SBB004389, ZINC01069171, NSC 112885, AI3-35104, TL80073583

Molecular Formula: C5H5NOMolecular Weight: 95.099300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZSKGQVFRTSEPJT-UHFFFAOYSA-N

• Quinolinic acid
IUPAC Name: pyridine-2,3-dicarboxylic acid | CAS Registry Number: 89-00-9
Synonyms: quinolinic acid, quinolinate, 2,3-pyridinedicarboxylic acid, Pyridine-2,3-dicarboxylic acid, pyridine-2,3-carboxylate, Spectrum_001525, Tocris-0225, Pyridine-2,3-dicarboxylate, pyridine carboxylate, 6c, Spectrum2_000929, Spectrum3_001502, Spectrum4_000336, Spectrum5_001170, 2,3-pyridinedicarboxylate, Lopac-P63204, 3,4-Pyridinedicarboxylic acid, Lopac0_000989, Oprea1_139764, Pyridine-3,4-dicarboxylic acid, BSPBio_003143

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

• Quinolinic Anhydride
IUPAC Name: furo[3,4-b]pyridine-5,7-dione | CAS Registry Number: 699-98-9
Synonyms: Quinolinic anhydride, 2,3-Pyridinedicarboxylic anhydride, Furo[3,4-b]pyridine-5,7-dione, P64405_ALDRICH, Pyridine-2,3-dicarboxylic anhydride, AIDS189642, Furo(3,4-b)pyridine-5,7-dione, AIDS-189642, NSC44309, EINECS 211-834-1, NSC 44309, ZINC08100881, EC-000.1421, 2,3-Pyridinedicarboxylic anhydride treated BSA, AC-907/25014149, 2,3-Pyridinedicarboxylic anhydride treated bovine serum albumin

Molecular Formula: C7H3NO3Molecular Weight: 149.103620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MCQOWYALZVKMAR-UHFFFAOYSA-N

• R-(+)-3-butyn-2-ol
IUPAC Name: (2R)-but-3-yn-2-ol | CAS Registry Number: 42969-65-3
Synonyms: 3-Butyn-2-ol, but-3-yn-2-ol, 464821_ALDRICH, (R)-()-3-Butyn-2-ol, ZINC02038978, InChI=1/C4H6O/c1-3-4(2)5/h1,4-5H,2H, 2028-63-9

Molecular Formula: C4H6OMolecular Weight: 70.089840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GKPOMITUDGXOSB-SCSAIBSYSA-N

• Sodium 2,3-dimercaptopropanesulfonate monohydrate
IUPAC Name: (2S)-2,3-bis(sulfanyl)propane-1-sulfonate | CAS Registry Number: 207233-91-8
Synonyms: ZINC04579270, CID7290505

Molecular Formula: C3H7O3S3-Molecular Weight: 187.280880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JLVSRWOIZZXQAD-VKHMYHEASA-M

• Sorbic Alcohol
IUPAC Name: (2E,4E)-hexa-2,4-dien-1-ol | CAS Registry Number: 111-28-4
Synonyms: Sorbic alcohol, Hexacose, Hexadenol, Hexakose, Hexenol, Sorbyl alcohol, Sorbinic alcohol, Hexene-ol, 2,4-Hexadienol, 2,4-HEXADIEN-1-OL, 1-Hydroxy-2,4-hexadiene, n-Hexa-2,4-dien-1-ol, (E,E)-2,4-Hexadien-1-ol, trans,trans-2,4-Hexadien-1-ol, W392200_ALDRICH, 183059_ALDRICH, EINECS 203-853-9, (E,E)-Hexa-2,4-dien-1-ol, 2,4-Hexadien-1-ol, (2E,4E)-, 2,4-Hexadien-1-ol, (E,E)-

Molecular Formula: C6H10OMolecular Weight: 98.143000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MEIRRNXMZYDVDW-MQQKCMAXSA-N


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