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Profile: Shanghai Chemhere Co., Ltd. deals with lab reagent, fine chemicals and active pharmaceutical ingredients. We develop catalysts and key reagents for laboratories. Our chemicals are used in research institutes and universities. We also offer custom synthesis in both research and development scale.

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• 3-Methyl-1-Phenyl-2-Pyrazoline-5-One

IUPAC Name: 5-methyl-2-phenyl-1H-pyrazol-3-one | CAS Registry Number: 19735-89-8
Synonyms: N-Demethylantipyrine, 3-Methyl-1-phenyl-5-pyrazolone, MolPort-000-160-542, MolPort-000-893-685, 3-Methyl-1-phenyl-1H-pyrazol-5-ol, AIDS020257, AIDS-020257, AKR-B020436, CID70335, EINECS 213-390-4, EINECS 243-261-8, STK062417, STK398253, BBV-213710, 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-, 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-, 1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, 5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 89-25-8, 942-32-5

Molecular Formula:	C₁₀H₁₀N₂O	Molecular Weight:	174.199200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KZQYIMCESJLPQH-UHFFFAOYSA-N

• 3-Methyl-2-oxobutyric acid calcium salt

IUPAC Name: calcium 3-methyl-2-oxobutanoate | CAS Registry Number: 51828-94-5
Synonyms: EINECS 257-456-0, 3-Methyl-2-oxobuttersaeure calciumsalz, Calcium 3-methyl-2-oxobutyrate (1:2), 759-05-7

Molecular Formula:	C₁₀H₁₄CaO₆	Molecular Weight:	270.292560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: IMZGMVJQWNJKCI-UHFFFAOYSA-L

• 3-Methyl-5-Phenyl-1h-Pyrazole

IUPAC Name: 5-methyl-3-phenyl-1H-pyrazole | CAS Registry Number: 3347-62-4
Synonyms: Phemerazole, Femerazol, 3-Methyl-5-phenylpyrazole, 5-Methyl-3-phenylpyrazole, Enamine_001202, 5-methyl-3-phenyl-1H-pyrazole, 1H-Pyrazole, 3-methyl-5-phenyl-, WLN: T5MNJ C1 ER, 3-Methyl-5-phenyl-1H-pyrazole, MLS001004744, PYRAZOLE, 3-METHYL-5-PHENYL-, 1H-Pyrazole,3-methyl-5-phenyl-, NSC78454, EINECS 222-099-1, NSC 78454, 1H-pyrazole, 5-methyl-3-phenyl-, CID18774, BRN 0004208, STK029816, ZINC03832560

Molecular Formula:	C₁₀H₁₀N₂	Molecular Weight:	158.199800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QHRSESMSOJZMCO-UHFFFAOYSA-N

• 3-Methylindan-1-one

IUPAC Name: 3-methyl-2,3-dihydroinden-1-one | CAS Registry Number: 6072-57-7
Synonyms: 3-Methyl-1-indanone, 3-Methylindanone, 1-Indanone, 3-methyl-, 391271_ALDRICH, NSC89554, 1H-Inden-1-one, 2,3-dihydro-3-methyl-, CID259560, JPV 00046, TL8003848

Molecular Formula:	C₁₀H₁₀O	Molecular Weight:	146.185800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: XVTQSYKCADSUHN-UHFFFAOYSA-N

• 3-Nitrobutyrophenone

IUPAC Name: 1-(3-nitrophenyl)butan-1-one | CAS Registry Number: 50766-86-4
Synonyms: m-Nitrobutyrophenone, 3'-Nitrobutyrophenone, 1-Butanone, 1-(3-nitrophenyl)-, 1-(3-Nitrophenyl)-1-butanone, MolPort-001-797-400, NSC210921, CID142747, ZINC01746599, T0518-0618

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HJLRYDBRORTQIU-UHFFFAOYSA-N

• 3-Oxo-3-pyridin-3-yl-propionic acid ethyl ester

IUPAC Name: ethyl 3-oxo-3-pyridin-3-ylpropanoate | CAS Registry Number: 6283-81-4
Synonyms: NSC7725, ALBB-006289, NSC32400, CID222197, SBB010886, ZINC01688320, ethyl 3-oxo-3-pyridin-3-ylpropanoate, Pyridin-3-propionic acid, 3-oxo-, ethyl(ester), 3-Pyridinepropanoic acid, .beta.-oxo-, ethyl ester

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: APQGYFNHIWMRIJ-UHFFFAOYSA-N

• 3-Phenylbutyric acid

IUPAC Name: 3-phenylbutanoic acid | CAS Registry Number: 4593-90-2
Synonyms: 3-Phenylbutanoic acid, 3-PHENYLBUTYRIC ACID, beta-Phenylbutyric acid, Enamine_005505, ()-3-Phenylbutyric acid, .beta.-Phenyl-n-butyric acid, NCIOpen2_000158, 116807_ALDRICH, ()-beta-Methylhydrocinnamic acid, AIDS110919, AIDS-110919, Benzenepropanoic acid, beta-methyl-, NSC67346, EINECS 224-987-4, NSC177801, NSC 177801, AI3-11112, ST5407989, Benzenepropanoic acid, .beta.-methyl-, (S)-, 772-17-8

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZZEWMYILWXCRHZ-UHFFFAOYSA-N

• 3-S-Isothiuronium Propyl Sulfonate

IUPAC Name: 3-carbamimidoylsulfanylpropane-1-sulfonic acid | CAS Registry Number: 21668-81-5
Synonyms: 251704_ALDRICH, MolPort-003-909-996, CID89008, EINECS 244-520-8, 3-(Amidinothio)-1-propanesulfonic acid, 3-((Aminoiminomethyl)thio)propanesulphonic acid, I09-1011, 1-Propanesulfonic acid, 3-((aminoiminomethyl)thio)-

Molecular Formula:	C₄H₁₀N₂O₃S₂	Molecular Weight:	198.263800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: MQLJIOAPXLAGAP-UHFFFAOYSA-N

• 4'-Dimethylaminophenyl acetylene

IUPAC Name: 4-ethynyl-N,N-dimethylaniline | CAS Registry Number: 17573-94-3
Synonyms: 4-ethynyl-N,N-dimethylbenzenamine, 4-Ethynyl-N,N-dimethylaniline, 1-Ethynyl-4-dimethylaniline, 4-Dimethylaminophenylacetylene, 752235-18-0, AC1NQ88Y, 592609_ALDRICH, CTK5J0608, MolPort-002-499-413, ANW-54657, SBB064833, ZINC02534480, AKOS010651568, AC-6444, AG-C-23409, AG-E-26157, AK-43705, AK101751, KB-38480, KB-72429

Molecular Formula:	C₁₀H₁₁N	Molecular Weight:	145.201040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZWMAYLMVFSCMMS-UHFFFAOYSA-N

• 4'-Ethoxyphenyl acetylene

IUPAC Name: 1-ethoxy-4-ethynylbenzene | CAS Registry Number: 79887-14-2
Synonyms: 4-ethoxyphenylacetylene, 1-ethoxy-4-ethynylbenzene, 1-ethoxy-4-ethynyl-benzene, 4'-Ethoxyphenylacetylene, 1-ethoxy-4-eth-1-ynylbenzene, SBB064838, AG-H-20196, ZINC02555802, p-ethoxyethynylbenzene, AC1MCPZY, 4-ethoxy phenyl acetylene, 1-ethynyl-4-ethoxybenzene, ACMC-20a2h1, 4-ethoxy-1-ethynyl-benzene, KSC493G5N, CTK3J3356, MolPort-001-761-972, ANW-54131, AKOS005146064, MCULE-2336333020

Molecular Formula:	C₁₀H₁₀O	Molecular Weight:	146.185800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: FRGNOZUOTHMJSC-UHFFFAOYSA-N

• 4'5'-Dimethyl-2'-hydroxyacetophenone

IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone | CAS Registry Number: 36436-65-4
Synonyms: ZINC00938866, 2-Hydroxy-4,5-dimethylacetophenone, 2'-Hydroxy-4',5'-dimethylacetophenone, EINECS 253-035-0, CID118976, SBB016321

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YXVSURZEXVMUAM-UHFFFAOYSA-N

• 4,4'-Dichlorobutyrophenone

IUPAC Name: 4-chloro-1-(4-chlorophenyl)butan-1-one | CAS Registry Number: 40877-09-6
Synonyms: gamma,p-DICHLOROBUTYROPHENONE, ZINC02162162, EINECS 255-123-4, CID2723781, LT00848184

Molecular Formula:	C₁₀H₁₀Cl₂O	Molecular Weight:	217.091800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UKCHLVFIVJBCKE-UHFFFAOYSA-N

• 4,5-Dimethoxy-2-nitrophenylacetic acid

IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid | CAS Registry Number: 73357-18-3
Synonyms: Maybridge1_002500, CBMicro_008990, Oprea1_699681, MLS000779016, DivK1c_001252, NSC636871, AIDS136008, AIDS-136008, NSC114123, CDS1_000212, NCI60_012238, SMR000415770, BIM-0009233.P001, ST5109113, (4,5-Dimethoxy-2-nitro-phenyl)-acetic acid, SR-01000634345-1, (2-(Hydroxy(oxido)amino)-4,5-dimethoxyphenyl)acetic acid

Molecular Formula:	C₁₀H₁₁NO₆	Molecular Weight:	241.197440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: WJPMJFUEMVXUCV-UHFFFAOYSA-N

• 4,6-Dinitro-2-Sec-Butylphenol

IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol | CAS Registry Number: 88-85-7
Synonyms: Butaphene, Basanite, Hivertox, Phenotan, Premerge, Dibutox, Gebutox, Kiloseb, Subitex, Caldon, Sparic, Spurge, Aatox, Dytop, Laseb, Chemox general, DINOSEB, Dow General, Blaartox, Butaphen

Molecular Formula:	C₁₀H₁₂N₂O₅	Molecular Weight:	240.212680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: OWZPCEFYPSAJFR-UHFFFAOYSA-N

• 4-(1h-Pyrazol-1-Yl)Benzylamine

IUPAC Name: (4-pyrazol-1-ylphenyl)methanamine | CAS Registry Number: 368870-03-5
Synonyms: 4-(1H-Pyrazol-1-yl)benzylamine, 1-[4-(1H-pyrazol-1-yl)phenyl]methanamine, 4-Pyrazol-1-yl-benzylamine, (4-pyrazol-1-ylphenyl)methanamine, [4-(pyrazol-1-yl)phenyl]methanamine, SBB021984, 1-[4-(Aminomethyl)phenyl]-1H-pyrazole, [4-(1H-pyrazol-1-yl)phenyl]methanamine, [4-(1H-Pyrazol-1-yl)phenyl]methylamine, (4-pyrazolylphenyl)methylamine, (4-(1H-PYRAZOL-1-YL)PHENYL)METHANAMINE, SDCCGMLS-0066006.P001, zlchem 1086, PubChem22753, SureCN45348, AC1MCR06, AC1Q53XT, AC1Q53XU, Oprea1_708203, CTK4H7344

Molecular Formula:	C₁₀H₁₁N₃	Molecular Weight:	173.214440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AVKMXPDYQVKSFF-UHFFFAOYSA-N

• 4-(1H-Pyrazol-1-Ylmethyl)aniline

IUPAC Name: 4-(pyrazol-1-ylmethyl)aniline | CAS Registry Number: 142335-61-3
Synonyms: Oprea1_796053, 4-Pyrazol-1-ylmethyl-phenylamine, ZINC00170354, 4-(1H-pyrazol-1-ylmethyl)aniline, STK301671, CID2764412, BAS 07758485, T6420352

Molecular Formula:	C₁₀H₁₁N₃	Molecular Weight:	173.214440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ISRYTHBRUSOVAB-UHFFFAOYSA-N

• 4-(1H-Pyrrol-1-yl)aniline

IUPAC Name: 4-pyrrol-1-ylaniline | CAS Registry Number: 52768-17-9
Synonyms: ZINC00159039, 4-pyrrolylphenylamine, 4-pyrrol-1-ylaniline, AC1MDTEX, 4-Pyrrol-1-yl-aniline, 4-(pyrrol-1-yl)aniline, SureCN296099, MolPort-000-142-760, ANW-56104, BBL009666, SBB076582, STL141016, AKOS000345098, AC-7271, AG-L-63872, CC25514, MCULE-5668369673, RP02028, SDCCGMLS-0066061.P001, AK-35497

Molecular Formula:	C₁₀H₁₀N₂	Molecular Weight:	158.199800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NHLHWHRXMZZWGA-UHFFFAOYSA-N

• 4-(2-hydroxyethyl)oxyindole

IUPAC Name: 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one | CAS Registry Number: 139122-19-3
Synonyms: 4-(2-Hydroxyethyl)indolin-2-one, 1,3-Dihydro-4-(2-hydroxyethyl)-2H-Indol-2-one, 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one, PubChem14624, 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one, SureCN154311, UNII-6YTE425882, MolPort-003-847-853, ACT02510, AC-499, ANW-47021, ZINC22000127, AKOS005258766, RL01686, AK-77220, KB-64475, 4-(2-Hydroxyethyl)-1,3-dihydro-2H-indolin-2-one

Molecular Formula:	C₁₀H₁₁NO₂	Molecular Weight:	177.199840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: QRTHVOUKWCEPKJ-UHFFFAOYSA-N

• 4-(2-Methyl-1,3-thiazol-4-yl)phenylamine

IUPAC Name: 4-(2-methyl-1,3-thiazol-4-yl)aniline | CAS Registry Number: 25021-49-2
Synonyms: 2-Mapt, Oprea1_424013, ZERO/004655, 2-Methyl-4-(4-aminophenyl)thiazole, 2-Methyl-4-(para-aminophenyl)thiazole, CID152684, ZINC02455754, Benzenamine, 4-(2-methyl-4-thiazolyl)-, 4-(2-Methyl-thiazol-4-yl)-phenylamine, BAS 10155523

Molecular Formula:	C₁₀H₁₀N₂S	Molecular Weight:	190.264800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JCRKEVDAEUPNAA-UHFFFAOYSA-N

• 4-(2-Oxo-1-Pyrrolidinyl)benzenesulfonyl Chloride

IUPAC Name: 4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride | CAS Registry Number: 112539-09-0
Synonyms: BAS 00138554, BB_SC-1924, ALBB-005449, STK400039, CID2794593, 4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride, 4-(2-Oxo-pyrrolidin-1-yl)-benzenesulfonyl chloride

Molecular Formula:	C₁₀H₁₀ClNO₃S	Molecular Weight:	259.709300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OUAVTZYGHGCCCB-UHFFFAOYSA-N

• 4-(2-Pyridyl)-2-Methyl-3-Butyn-2-Ol

IUPAC Name: 2-methyl-4-pyridin-2-ylbut-3-yn-2-ol | CAS Registry Number: 29767-97-3
Synonyms: 4-(2-Pyridyl)-2-Methyl-3-Butyn-2-ol, 2-methyl-4-(2-pyridinyl)-3-butyn-2-ol, 2-methyl-4-(pyridin-2-yl)but-3-yn-2-ol, 2-methyl-4-(2-pyridyl)but-3-yn-2-ol, ZINC00076475, ACMC-20amxd, AC1LF7DU, AC1Q1NNL, SureCN1201922, Oprea1_792862, Oprea1_799539, STOCK1N-48052, CTK0J1104, MolPort-000-757-322, HMS1578K02, CCG-1972, CCG-2128, SBB087535, STK386856, AKOS000623497

Molecular Formula:	C₁₀H₁₁NO	Molecular Weight:	161.200440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YBUWIVMOMHEALF-UHFFFAOYSA-N

• 4-(4-Bromophenyl)morpholine

IUPAC Name: 4-(4-bromophenyl)morpholine | CAS Registry Number: 30483-75-1
Synonyms: N-(4-Bromophenyl)morpholine, AG-F-00469, PubChem16733, ACMC-1CS6L, AGN-PC-00CV4Y, SureCN1515927, AMTH038, 4-(4'-bromophenyl)morpholine, 591777_ALDRICH, Jsp005749, Morpholine,4-(4-bromophenyl)-, CTK4G5280, MolPort-000-002-265, Morpholine, 4-(4-bromophenyl)-, ANW-26886, ZINC02526703, 4-(4-BROMOPHENYL)-MORPHOLINE, AKOS005254911, AC-3335, QC-4731

Molecular Formula:	C₁₀H₁₂BrNO	Molecular Weight:	242.112380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UJTKZWNRUPTHSB-UHFFFAOYSA-N

• 4-(4-Iodophenyl)morpholine

IUPAC Name: 4-(4-iodophenyl)morpholine | CAS Registry Number: 87350-77-4
Synonyms: SBB054189, ZINC00158853, AC1MDT6U, SureCN1432961, Morpholine,4-(4-iodophenyl)-, CTK5F8271, MolPort-000-004-485, 1-Iodo-4-(morpholin-4-yl)benzene, AG-H-52445, RP06718, AK-46209, KB-87690, Y4420, I67163, 4-(4-Iodophenyl)morpholine;4-Morpholinoiodobenzene;, I14-101908

Molecular Formula:	C₁₀H₁₂INO	Molecular Weight:	289.112850 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YUEREUIIUISPFV-UHFFFAOYSA-N

• 4-(4-Nitrophenyl)butyric acid

IUPAC Name: 4-(4-nitrophenyl)butanoic acid | CAS Registry Number: 5600-62-4
Synonyms: Oprea1_361179, N20506_ALDRICH, .gamma.-(p-Nitrophenyl)butyric acid, NSC78455, EINECS 227-019-9, SBB008603, FR-2315

Molecular Formula:	C₁₀H₁₁NO₄	Molecular Weight:	209.198640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WQMLUHZFRFCQDB-UHFFFAOYSA-N

• 4-(Bromomethyl)benzoic acid ethyl ester

IUPAC Name: ethyl 4-(bromomethyl)benzoate | CAS Registry Number: 26496-94-6
Synonyms: Ethyl 4-(bromomethyl)benzoate, SBB063062, 4-Bromomethyl-benzoic acid ethyl ester, ZINC00559407, zlchem 925, ACMC-1CKNV, AC1LIH7F, SureCN245250, Ethyl 4-bromomethylbenzoate, Ethyl (4-Bromomethyl)benzoate, Jsp005201, 4-(Ethoxycarbonyl)benzyl bromide, CTK4F8012, ZLD0389, MolPort-001-001-146, ACT05732, ANW-64103, alpha-Bromo-4-(ethoxycarbonyl)toluene, AKOS000294915, AG-E-83464

Molecular Formula:	C₁₀H₁₁BrO₂	Molecular Weight:	243.097140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: TWQLMAJROCNXEA-UHFFFAOYSA-N

• 4-(Chloromethyl)benzoic acid ethyl ester

IUPAC Name: ethyl 4-(chloromethyl)benzoate | CAS Registry Number: 1201-90-7
Synonyms: NSC124619, CID276519

Molecular Formula:	C₁₀H₁₁ClO₂	Molecular Weight:	198.646140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JTTXRFNOFFGPFI-UHFFFAOYSA-N

• 4-(Morpholine-4-Sulfonyl)-Benzenesulfonyl Chloride

IUPAC Name: 4-morpholin-4-ylsulfonylbenzenesulfonyl chloride | CAS Registry Number: 465514-13-0
Synonyms: 4-(morpholine-4-sulfonyl)benzenesulfonyl chloride, 4-(morpholin-4-ylsulfonyl)benzenesulfonyl chloride, AC1MCWC4, AC1Q3VL2, 4-morpholin-4-ylsulfonylbenzenesulfonyl Chloride, CTK4I9447, MolPort-000-144-977, AKOS001054779, AG-F-59770, MCULE-5704794029, MO00516, QC-5471, KB-187610, FT-0616825, EN300-08977, 4-(morpholinosulfonyl)benzene-1-sulfonyl chloride, 4-(Morpholine-4-sulphonyl)-benzenesulphonyl chloride, T5833295

Molecular Formula:	C₁₀H₁₂ClNO₅S₂	Molecular Weight:	325.788980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: ZZSBUDUHESWZJB-UHFFFAOYSA-N

• 4-(N-Cyclopropylaminocarbonyl)phenylboronic acid

IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 515140-26-8
Synonyms: BM408

Molecular Formula:	C₁₀H₁₂BNO₃	Molecular Weight:	205.018180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: WCRPDYXXIVYAAJ-UHFFFAOYSA-N

• 4-(N-Ethyl-N-2-methanesulfonylaminoethyl)-2-methylphenylenediamine

IUPAC Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid | CAS Registry Number: 25646-71-3
Synonyms: Kodak CD-3, CD III, CD 3, FCD 03, EINECS 247-161-5, CD 003, NSC 164932, LS-90070, N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulfonamide sulfate (2:3), N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulphonamide sesquisulphate, Methanesulfonamide, N-(2-((4-amino-3-methylphenyl)ethylamino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-(2-(4-amino-N-ethyl-m-toluidino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-, sulfate (2:3), N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide sulfate (2:3), 161061-60-5, 92-09-1

Molecular Formula:	C₂₄H₄₈N₆O₁₆S₅	Molecular Weight:	836.993520 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	22

InChIKey: NPDFXFLCEDDWEG-UHFFFAOYSA-N

• 4-(n-Methyl-n-chloroethyl)amino benzaldehyde

IUPAC Name: 4-[2-chloroethyl(methyl)amino]benzaldehyde | CAS Registry Number: 94-31-5
Synonyms: EINECS 202-321-3, p-((2-Chloroethyl)methylamino)benzaldehyde, 4-((2-Chloroethyl)methylamino)benzaldehyde, Benzaldehyde, 4-((2-chloroethyl)methylamino)-

Molecular Formula:	C₁₀H₁₂ClNO	Molecular Weight:	197.661380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IYFULQJDHJGQKQ-UHFFFAOYSA-N

• 4-Acetamido-2-methylbenzoic acid

IUPAC Name: 4-acetamido-2-methylbenzoic acid | CAS Registry Number: 103204-69-9
Synonyms: SBB058914, 4-(acetylamino)-2-methylbenzoic acid, ACMC-20amqf, SureCN377804, AC1MC2U1, 549665_ALDRICH, CTK3J5646, 4'-acetamido-2-methylbenzoicacid, MolPort-001-770-853, ACT08036, AKOS009159401, AG-D-13645, MCULE-8562263340, AK-40258, BP-10615, KB-188789, ST50827367, X8018, AE-562/43460584, I14-34009

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AQPDTYYKDYMCTH-UHFFFAOYSA-N

• 4-Acetamido-3-bromoacetophenone

IUPAC Name: N-(4-acetyl-2-bromophenyl)acetamide | CAS Registry Number: 101209-08-9
Synonyms: 4'-Acetamido-3'-bromoacetophenone, N-(4-acetyl-2-bromophenyl)acetamide, SBB058022, ZINC00156624, AC1MVFK6, AC1Q1KHA, SureCN842209, 680346_ALDRICH, CTK8E4725, 4'-Acetamido-3-Bromoacetophenone, MolPort-000-150-260, 3'-Bromo-4'-acetaminoacetophenone, ACT08037, AKOS005206869, MCULE-8641336741, FS000804, KB-30191, KB-36107, N-(2-bromanyl-4-ethanoyl-phenyl)ethanamide, FT-0617370

Molecular Formula:	C₁₀H₁₀BrNO₂	Molecular Weight:	256.095900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PMYJAVHDFDKJBS-UHFFFAOYSA-N

• 4-Allyloxybenzaldehyde

IUPAC Name: 4-prop-2-enoxybenzaldehyde | CAS Registry Number: 40663-68-1
Synonyms: p-(Allyloxy)benzaldehyde, p-Allyloxybenzaldehyde, 4-(Allyloxy)benzaldehyde, Benzaldehyde, 4-(2-propenyloxy)-, 544396_ALDRICH, ALBB-001171, NSC44013, EINECS 255-027-2, SBB007994, ZINC01676478, FR-0715

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: TYNJQOJWNMZQFZ-UHFFFAOYSA-N

• 4-Amino Salicylic Acid Calcium Salt

IUPAC Name: calcium 4-amino-2-hydroxybenzoate | CAS Registry Number: 133-15-3
Synonyms: CALCIUM-P-AMINO SALICYLATE

Molecular Formula:	C₁₄H₁₂CaN₂O₆	Molecular Weight:	344.332880 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: XDWVNCOPMIEDJK-UHFFFAOYSA-L

• 4-Amino-2-Chloro-6,7-Dimethoxy Quinazoline

IUPAC Name: 2-chloro-6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 23680-84-4
Synonyms: 518654_ALDRICH, 4-Amino-2-chloro-6,7-dimethoxyquinazoline, ZINC02028665, ALBB-005949, CID90235, EINECS 245-821-7, SBB000787, 2-Chloro-6,7-dimethoxy-4-quinazolinamine, 2-Chloro-6,7-dimethoxyquinazolin-4-amine, 4-Quinazolinamine, 2-chloro-6,7-dimethoxy-, 2-chloro-6,7-dimethoxyquinazolin-4-ylamine, TL8001956, AN-829/25042011

Molecular Formula:	C₁₀H₁₀ClN₃O₂	Molecular Weight:	239.658300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HWIIAAVGRHKSOJ-UHFFFAOYSA-N

• 4-Amino-6,7-dimethoxyquinazoline

IUPAC Name: 6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 21575-13-3
Synonyms: 6,7-dimethoxyquinazolin-4-amine, AG-E-58103, zlchem 1037, AGN-PC-00KONW, SureCN3166753, 6,7-dimethoxy-4-quinazolinamine, CTK4E7169, ZLD0503, MolPort-000-614-627, 4-Quinazolinamine,6,7-dimethoxy-, 4-Quinazolinamine, 6,7-dimethoxy-, SBB070429, ZINC05511144, AKOS002364349, AK114713, AM100512, N749, KB-141417, KB-189227, TL8001792

Molecular Formula:	C₁₀H₁₁N₃O₂	Molecular Weight:	205.213240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: MGHPNHISKDKRJW-UHFFFAOYSA-N

• 4-Amino-N-Cyclopropyl-3,5-Dichlorobenzamide

IUPAC Name: 4-amino-3,5-dichloro-N-cyclopropylbenzamide | CAS Registry Number: 60676-83-7
Synonyms: CID43397, MR-1230, NSC77097, BRN 2811202, 4-Amino-N-cyclopropyl-3,5-dichlorobenzamide, N-Cyclopropyl-3,5-dichloro-4-aminobenzamide, N-Cyclopropyl-4-amino-3,5-dichlorobenzamide, A 19931, LS-25478, Benzamide, 4-amino-3,5-dichloro-N-cyclopropyl-, BENZAMIDE, 4-AMINO-N-CYCLOPROPYL-3,5-DICHLORO-

Molecular Formula:	C₁₀H₁₀Cl₂N₂O	Molecular Weight:	245.105200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZOEINVZGXJXJIR-UHFFFAOYSA-N

• 4-Aminodiphenylamine sulfate

IUPAC Name: 1-N-phenylbenzene-1,4-diamine; sulfuric acid | CAS Registry Number: 4698-29-7
Synonyms: p-Aminodiphenylamine sulfate, N-Phenyl-p-phenylenediamine sulfate, EINECS 225-173-1, N-Phenyl-1,4-benzenediamine sulfate, Bis(N-phenylbenzene-p-diamine) sulphate, N-Phenyl-p-phenylenediamine, hemisulfate, 1,4-Benzenediamine, N-phenyl-, sulfate (2:1), 101-54-2

Molecular Formula:	C₂₄H₂₆N₄O₄S	Molecular Weight:	466.552640 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: ZRFXOEFNFAPWJA-UHFFFAOYSA-N

• 4-Aminomethylstyrene-divinylbenzene copolymer (CAS: 78578-28-6)

• 4-Aminoquinaldine

IUPAC Name: 2-methylquinolin-4-amine | CAS Registry Number: 6628-04-2
Synonyms: 4-Amino-2-methylquinoline, 4-Aminoquinaldine 4, 2-methylquinolin-4-ylamine, 4-Quinolinamine, 2-methyl-, A79000_ALDRICH, MLS001003983, NSC60281, EINECS 229-604-4, 4-Quinolinamine, 2-methyl- (9CI), NSC 60281, SBB003992, SMR000347722, EU-0007764, UX00000584, AE-848/31925049

Molecular Formula:	C₁₀H₁₀N₂	Molecular Weight:	158.199800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: COCFIBRMFPWUDW-UHFFFAOYSA-N

• 4-Chloro-1-(4-hydroxyphenyl)-1-butanone

IUPAC Name: 4-chloro-1-(4-hydroxyphenyl)butan-1-one | CAS Registry Number: 7150-55-2
Synonyms: 4-Chloro-4'-hydroxybutyrophenone, NSC71882, EINECS 230-485-6, ZINC01697305, Butyrophenone, 4-chloro-4'-hydroxy-, ST5412062, 1-Butanone, 4-chloro-1-(4-hydroxyphenyl)-

Molecular Formula:	C₁₀H₁₁ClO₂	Molecular Weight:	198.646140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HZCPODPQEZHXHM-UHFFFAOYSA-N

• 4-Chloro-4'-Fluoro Butyrophenone

IUPAC Name: 4-chloro-1-(4-fluorophenyl)butan-1-one | CAS Registry Number: 3874-54-2
Synonyms: p-Fluorobenzoylpropyl chloride, 4-Chloro-4'-fluorobutyrophenone, 4-Fluorobenzoylpropyl chloride, 4-Chloro-p-fluorobutyrophenone, p-Fluoro-4-chlorobutyrophenone, NCIOpen2_005403, C43609_ALDRICH, 3-Chloro-4'-fluorobutyrophenone, 4'-Fluoro-4-chlorobutyrophenone, .gamma.-Chloro-p-fluorobutyrophenone, 3-(p-Fluorobenzoyl)propyl chloride, gamma-Chloro-p-fluorobutyrophene, 3-(4-Fluorobenzoyl)propyl chloride, Butyrophenone, 4-chloro-4'-fluoro-, gamma-Chloro-p-fluorobutyrophenone, p-Fluoro-gamma-chlorobutyrophenone, .gamma.-Chloro-p-fluorobutyrophene, 1-Butanone, 4-chloro-1-(4-fluorophenyl)-, gamma-Chloro-4-fluorobutyrophenone, 3-Chloropropyl 4'-fluorophenyl ketone

Molecular Formula:	C₁₀H₁₀ClFO	Molecular Weight:	200.637203 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HXAOUYGZEOZTJO-UHFFFAOYSA-N

• 4-Chloro-alpha,alpha-dimethylphenylacetic acid

IUPAC Name: 2-(4-chlorophenyl)-2-methylpropanoic acid | CAS Registry Number: 6258-30-6
Synonyms: EINECS 228-392-0, SBB003559, 2-(p-Chlorophenyl)-2-methylpropionic acid, 2-(4-Chlorophenyl)-2-methylpropionic acid, 4-Chloro-.alpha.,.alpha.-dimethylphenylacetic acid

Molecular Formula:	C₁₀H₁₁ClO₂	Molecular Weight:	198.646140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SSFDAZXGUKDEAH-UHFFFAOYSA-N

• 4-Chloro-dl-phenylalanine methyl ester hydrochloride

IUPAC Name: [3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium chloride | CAS Registry Number: 14173-40-1
Synonyms: PCPA hydrochloride, DL-Pcpa methyl ester hydrochloride, EINECS 238-024-0, LS-15973, LS-15974, p-Chlorophenylalanine methyl ester hydrochloride, DL-p-Chlorophenylalanine methyl ester hydrochloride, Methyl 4-chloro-3-phenyl-DL-alaninate hydrochloride, Phenylalanine, 4-chloro-, methyl ester, hydrochloride, DL-3-(p-Chlorophenyl)alanine methyl ester hydrochloride, DL-Phenylalanine, 4-chloro-, methyl ester, hydrochloride, ALANINE, 3-(p-CHLOROPHENYL)-, METHYL ESTER, HYDROCHLORIDE, ALANINE, 3-(p-CHLOROPHENYL)-, METHYL ESTER, HYDROCHLORIDE, DL-, 23434-91-5, 23434-96-0

Molecular Formula:	C₁₀H₁₃Cl₂NO₂	Molecular Weight:	250.121720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GCBCWTWQAFLKJG-UHFFFAOYSA-N

• 4-Ethoxy acetophenone

IUPAC Name: 1-(4-ethoxyphenyl)ethanone | CAS Registry Number: 1676-63-7
Synonyms: 4'-Ethoxyacetophenone, p-Ethoxyacetophenone, Acetophenone, p-ethoxy-, Acetophenone, 4'-ethoxy-, Ethanone, 1-(4-ethoxyphenyl)-, p-ETHOXY ACETOPHENONE, 275719_ALDRICH, 1-(4-Ethoxyphenyl)ethan-1-one, AIDS017977, AIDS-017977, EINECS 216-825-6, NSC403850, NSC406258, ZINC00159744, NSC 403850, NSC 406258, AI3-01029, ST5213455, InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YJFNFQHMQJCPRG-UHFFFAOYSA-N

• 4-Ethylphenylacetonitrile

IUPAC Name: 2-(4-ethylphenyl)acetonitrile | CAS Registry Number: 51632-28-1
Synonyms: ZINC02390025, CID142867

Molecular Formula:	C₁₀H₁₁N	Molecular Weight:	145.201040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: NCPKDFDQDZMXCO-UHFFFAOYSA-N

• 4-Formylphenyl propionate

IUPAC Name: (4-formylphenyl) propanoate | CAS Registry Number: 50262-48-1
Synonyms: p-Propionoxybenzaldehyde, 4-n-Propionyloxybenzaldehyde, 4-Propionyloxybenzaldehyde, Benzaldehyde, 4-(1-oxopropoxy)-, ALBB-001395, SBB008232, ZINC02168716, FR-1091, AI3-32040

Molecular Formula:	C₁₀H₁₀O₃	Molecular Weight:	178.184600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NKXPJXVTMWLHBC-UHFFFAOYSA-N

• 4-Hydroxybenzylideneacetone

IUPAC Name: (E)-4-(4-hydroxyphenyl)but-3-en-2-one | CAS Registry Number: 3160-35-8
Synonyms: p-Hydroxybenzalacetone, Ambap499, 4-Hydroxycinnamoylmethane, 4-Hydroxybenzal acetone, p-Hydroxybenzylidene acetone, 1-(4-Hydroxybenzylidene)acetone, 4-(p-Hydroxyphenyl)-3-buten-2-one, AIDS017763, AIDS-017763, EINECS 221-607-9, NSC 26516, ZINC00301268, 4-(4-Hydroxyphenyl)but-3-en-2-one, 3-Buten-2-one, 4-(p-hydroxyphenyl)-, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, AI3-30539, AI3-35956, C12088, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-, 22214-30-8

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OCNIKEFATSKIBE-NSCUHMNNSA-N

• 4-Hydroxyphenyl Butanone

IUPAC Name: 1-(4-hydroxyphenyl)butan-1-one | CAS Registry Number: 1009-11-6
Synonyms: p-Butyrylphenol, 4-Butyrylphenol, p-Hydroxybutyrophenone, 4-Hydroxybutyrophenone, Butyrophenone, 4'-hydroxy-, 4'-Hydroxybutyrophenone, ChemDiv2_002250, 1-Butanone, 1-(4-hydroxyphenyl)-, p-Hydroxyphenyl propyl ketone, ZERO/000922, NSC17548, Butyrophenone, 4'-hydroxy- (8CI), EINECS 213-766-8, NSC 17548, ZINC00078215

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GFBLPULLSAPXDC-UHFFFAOYSA-N

• 4-Isopropoxybenzaldehyde

IUPAC Name: 4-propan-2-yloxybenzaldehyde | CAS Registry Number: 18962-05-5
Synonyms: NSC69072, ALBB-001159, CID250077, ZINC00162811, TL8001543, A3424/0145262

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WDANSDASCKBVKH-UHFFFAOYSA-N