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Profile: Jiangsu Equalchem Co., Ltd. provides specialty chemicals, biocides, pharmaceuticals & their intermediates and agrochemicals. Our active pharmaceutical ingredients include ibuprofen, silymarin, lisinopril and bisoprolol. We also offer 2-ethylphenol, 2-chloro-4-nitrophenol, 2-bromobenzaldehyde, mono-methyl isophthalate and 2-acetyl-4-methylpyridine.

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• Benzeneboronic acid

IUPAC Name: phenylboronic acid | CAS Registry Number: 98-80-6
Synonyms: Phenylboronic acid, Phenylboric acid, Phenyldihydroxyborane, Boronic acid, phenyl-, Borophenylic acid, phenylboranediol, Dihydroxyphenylborane, Boric acid, phenyl-, Dihydroxy(phenyl)borane, Acide phenylborique, PHENYL BORONIC ACID, USAF BO-2, Phenylboron dihydroxide, nchembio.87-comp40, WLN: QBQR, Acide phenylborique [French], Kyselina fenylborita [Czech], P20009_ALDRICH, ARONIS010113, 78181_FLUKA

Molecular Formula:	C₆H₇BO₂	Molecular Weight:	121.929580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HXITXNWTGFUOAU-UHFFFAOYSA-N

• Bisoprolol

IUPAC Name: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | CAS Registry Number: 66722-44-9
Synonyms: BISOPROLOL, Concor, Bisoprolol fumarate, Bisoprolol fumerate, Bisoprololum [Latin], Bisoprolol hemifumarate, Bisoprolol (USAN/INN), Prestwick0_000330, Prestwick1_000330, Prestwick2_000330, Prestwick3_000330, Bisoprolol [USAN:BAN:INN], BSPBio_000339, SPBio_002260, BPBio1_000373, CHEBI:3127, C18H31NO4, CID2405, EMD-33512, DB00612

Molecular Formula:	C₁₈H₃₁NO₄	Molecular Weight:	325.443040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: VHYCDWMUTMEGQY-UHFFFAOYSA-N

• Chloroxylenol

IUPAC Name: 4-chloro-3,5-dimethylphenol | CAS Registry Number: 88-04-0
Synonyms: chloroxylenol, Benzytol, Ottasept, Espadol, Desson, Dettol, Ottasept Extra, Husept Extra, Willenol V, Chlorxylenolum, Chloro-xylenol, 4-Chloro-3,5-dimethylphenol, p-Chloro-m-xylenol, 4-Chloro-m-xylenol, Nipacide MX, PCMX, Septiderm-Hydrochloride, Chloroxylenol(USAN, p-Chloro-3,5-xylenol, 2-Chloro-m-xylenol

Molecular Formula:	C₈H₉ClO	Molecular Weight:	156.609460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OSDLLIBGSJNGJE-UHFFFAOYSA-N

• cis-4-Hydroxy-L-Proline

IUPAC Name: (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid | CAS Registry Number: 618-27-9
Synonyms: hydroxyproline, Oxaceprol, Hypro, hydroxy-L-proline, L-4-hydroxyproline, 4-Hydroxy-L-proline, Hydroxyproline (VAN), cis-4-Hydroxy-L-proline, trans-4-Hydroxyproline, L-Proline, 4-hydroxy-, Proline, 4-hydroxy-, L-, H1637_SIGMA, Proline, 4-hydroxy- (VAN), 56248_FLUKA, L-Proline, 4-hydroxy-, trans-, L-Proline, 4-hydroxy-, (4R)-, EINECS 200-091-9, NSC 46704, 4-Hydroxy-2-pyrrolidinecarboxylic acid, LS-118881

Molecular Formula:	C₅H₉NO₃	Molecular Weight:	131.129860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: PMMYEEVYMWASQN-IMJSIDKUSA-N

• Dimethyl 3,3'-Thiodipropanoate

IUPAC Name: methyl 3-(3-methoxy-3-oxopropyl)sulfanylpropanoate | CAS Registry Number: 4131-74-2
Synonyms: Dimethyl thiodipropionate, Dimethyl 3,3'-thiodipropionate, dimethyl 3,3'-thiodipropanoate, D188301_ALDRICH, Bis(2-methoxycarbonylethyl)sulfide, Dimethyl 3,3'-thiobispropionate, NSC2244, Propanoic acid, 3,3'-thiobis-, dimethyl ester, CID77781, NSC 2244, NSC35224, EINECS 223-948-9, NSC 35224, ZINC01577229, BBV-266432, beta,beta'-Dicarbomethoxydiethyl sulfide, NCGC00164219-01, 3,3'-Thiodipropionic acid dimethyl ester, Propionic acid, 3,3'-thiodi-, dimethyl ester, .beta.,.beta.'-Dicarbomethoxydiethyl sulfide

Molecular Formula:	C₈H₁₄O₄S	Molecular Weight:	206.259360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MYWWWNVEZBAKHR-UHFFFAOYSA-N

• ethyl 2-Cyano-4,4-diethoxybutyrate

IUPAC Name: ethyl 2-cyano-4,4-diethoxybutanoate | CAS Registry Number: 52133-67-2
Synonyms: Ethyl 2-cyano-4,4-diethoxybutyrate, Ethyl 2,2-diethoxyethylcyanoacetate, ethyl 2-cyano-4,4-diethoxybutanoate, AG-F-77403, 2-Cyano-4,4-diethoxybutyric Acid Ethyl Ester, zlchem 173, Ethyl 2-cyano-4,4-diethoxy-butanoate, PubChem13692, AC1N48NE, KSC269G6T, CTK1G9369, ZLB0164, MolPort-003-847-208, Ethyl-2,2-diethoxythylcyanoacetate, ACT02948, AB2838, ANW-47538, SBB066982, AKOS000281353, LS40726

Molecular Formula:	C₁₁H₁₉NO₄	Molecular Weight:	229.272860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: AHKACZDKUNMFBD-UHFFFAOYSA-N

• Ethyl 4-Iodobenzoate (CAS: 51934-41-)

• Floroacetonitrile

IUPAC Name: 2-fluoroacetonitrile | CAS Registry Number: 503-20-8
Synonyms: Fluoroacetonitrile, Fluoromethyl cyanide, Monofluoroacetonitrile, ACETONITRILE, FLUORO-, 257443_ALDRICH, BRN 1697891, InChI=1/C2H2FN/c3-1-2-4/h1H, LS-13266, 4-02-00-00455 (Beilstein Handbook Reference)

Molecular Formula:	C₂H₂FN	Molecular Weight:	59.042383 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GNFVFPBRMLIKIM-UHFFFAOYSA-N

• Glycolide

IUPAC Name: 1,4-dioxane-2,5-dione | CAS Registry Number: 502-97-6
Synonyms: Glycollide, 1,4-Dioxane-2,5-dione, p-Dioxane-2,5-dione, p-Dioxane-2,5-dione (8CI), CID65432, EINECS 207-954-9, NSC403079, ZINC04284649, NSC 403079, SB 01616, Acetic acid, hydroxy-, bimol. cyclic ester, 162682-01-1

Molecular Formula:	C₄H₄O₄	Molecular Weight:	116.072160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RKDVKSZUMVYZHH-UHFFFAOYSA-N

• Ibuprofen

IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 15687-27-1
Synonyms: ibuprofen, Motrin, Brufen, Andran, Liptan, Nuprin, Advil, Butylenin, Ibuprocin, Anflagen, Buburone, Ibumetin, Medipren, Nobfelon, Lamidon, Pantrop, Rebugen, Dolgit, Ebufac, Rufen

Molecular Formula:	C₁₃H₁₈O₂	Molecular Weight:	206.280820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N

• M-Bromonitrobenzene

IUPAC Name: 1-bromo-3-nitrobenzene | CAS Registry Number: 585-79-5
Synonyms: M-BROMONITROBENZENE, m-Nitrobromobenzene, 1-Bromo-3-nitrobenzene, 3-Bromonitrobenzene, 3-Nitrobromobenzene, Benzene, 1-bromo-3-nitro-, BROMONITROBENZENE, CCRIS 3114, ghl.PD_Mitscher_leg0.921, NSC 7084, 17700_FLUKA, EINECS 209-563-9, NSC7084, UN2732, STK286023, ZINC01566594, AI3-09054, FS003020, LS-29209, ST5406626

Molecular Formula:	C₆H₄BrNO₂	Molecular Weight:	202.005460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FWIROFMBWVMWLB-UHFFFAOYSA-N

• Meta Chloroaniline

IUPAC Name: 3-chloroaniline | CAS Registry Number: 108-42-9
Synonyms: m-Chloroaniline, 3-CHLOROANILINE, m-Chloraniline, Orange GC Base, m-Chlorophenylamine, Benzenamine, 3-chloro-, 3-Chlorobenzenamine, 3-Chlorophenylamine, m-Aminochlorobenzene, m-Chloroaminobenzene, Aniline, m-chloro-, 3-Cloroaniline, 3-Chlooranilinen, Fast Orange GC Base, meta-Aminochlorobenzene, 1-Amino-3-chlorobenzene, 3-Chlooranilinen [Dutch], 3-Cloroaniline [Italian], 3-CHLORO-ANILINE, WLN: ZR CG

Molecular Formula:	C₆H₆ClN	Molecular Weight:	127.571540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: PNPCRKVUWYDDST-UHFFFAOYSA-N

• Metformin

IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine | CAS Registry Number: 657-24-9
Synonyms: metformin, Diabetosan, Haurymelin, Metiguanide, Fluamine, Flumamine, Gliguanid, Glumetza, Glifage, Islotin, Diabex, Melbin, Siofor, Dimethylbiguanide, Dimethyldiguanide, Glucophage, Metformin HCL, Dimethylbiguanidine, 1,1-Dimethylbiguanide, Metformina [DCIT]

Molecular Formula:	C₄H₁₁N₅	Molecular Weight:	129.163640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N

• Metformin hydrochloride

IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine hydrochloride | CAS Registry Number: 1115-70-4
Synonyms: metformin, Glucophage, Diabefagos, Glyciphage, Siamformet, Benofomin, Denkaform, Diaberit, Diabesin, Diabetex, Diabetmin, Diaformin, Diaphage, Diformin, Glibomet, Glucofago, Glucoform, Glucoliz, Glucomet, Glucomine

Molecular Formula:	C₄H₁₂ClN₅	Molecular Weight:	165.624580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: OETHQSJEHLVLGH-UHFFFAOYSA-N

• mono-Methyl isophthalate

IUPAC Name: 3-methoxycarbonylbenzoic acid | CAS Registry Number: 1877-71-0
Synonyms: Isophthalic acid, monomethyl ester, 555401_ALDRICH, ARONIS015903, 3-(Methoxycarbonyl)benzoic acid, ALBB-006389, CID601880, ST5408159, 1,3-Benzenedicarboxylic acid, monomethyl ester

Molecular Formula:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WMZNGTSLFSJHMZ-UHFFFAOYSA-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:	C₁₃H₁₇NO	Molecular Weight:	203.280180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N

• O-Bromobenzaldehyde

IUPAC Name: 2-bromobenzaldehyde | CAS Registry Number: 6630-33-7
Synonyms: 2-Bromobenzaldehyde, o-Bromobenzaldehyde, Benzaldehyde, 2-bromo-, Benzaldehyde, o-bromo-, B57001_ALDRICH, NSC60390, EINECS 229-622-2, NSC 60390, ZINC00157164, ST5213366, B-5780, InChI=1/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5

Molecular Formula:	C₇H₅BrO	Molecular Weight:	185.018000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: NDOPHXWIAZIXPR-UHFFFAOYSA-N

• Silibinin

IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-2,3-dihydrochromen-4-one | CAS Registry Number: 22888-70-6
Synonyms: Silybin, silibinin, Silliver, Silybine, Silymarin I, Flavobin, Flavobin Spofa, Silymarine I, Silimarin, Legalon, Silibin, Carsil, SILYMARIN, Silibinin [INN], KARSIL, Silybin (7CI), Silibinine [INN-French], Silibininum [INN-Latin], Silibinina [INN-Spanish], Spectrum2_001694

Molecular Formula:	C₂₅H₂₂O₁₀	Molecular Weight:	482.436180 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-N

• Tetracycline hydrochloride

IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride | CAS Registry Number: 64-75-5
Synonyms: Bristacycline, Tetracycline.HCl, Bristacycline (TN), Epitetracycline hydrochloride, TETRACYCLINE HYDROCHLORIDE, SBB006497, CID5282243, Tetracycline hydrochloride (JP15/USP), NCGC00180907-01, NCGC00180907-02, C13655, D02122, (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride, TC

Molecular Formula:	C₂₂H₂₅ClN₂O₈	Molecular Weight:	480.895500 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	10

InChIKey: DYQBMRZOOXYHIM-NCKOGSTASA-N

• Triclocarban

IUPAC Name: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea | CAS Registry Number: 101-20-2
Synonyms: Trilocarban, Procutene, Genoface, Cusiter, Cutisan, Trichlocarban, Solubacter, trichlorcarban, Septivon-Lavril, TCC Soap, Caswell No. 874, TCC (soap bacteriostat), 3,4,4'-Trichlorodiphenylurea, Triclocarban [USAN:INN], Triclocarbanum [INN-Latin], Urea-based compound, 11, 3,4,4'-TRICHLOROCARBANILIDE, Triclocarban (USAN/INN), CCRIS 4880, C13H9Cl3N2O

Molecular Formula:	C₁₃H₉Cl₃N₂O	Molecular Weight:	315.582360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: ICUTUKXCWQYESQ-UHFFFAOYSA-N

• Triclosan

IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol | CAS Registry Number: 3380-34-5
Synonyms: triclosan, Irgasan, Cloxifenolum, Cliniclean, Tersaseptic, Aquasept, Manusept, Sapoderm, Trisan, pHisoHex, Microshield T, Oxy Skin Wash, Stri-Dex Face Wash, Irgasan DP300, Stri-Dex Cleansing Bar, Triclosan; Irgasan, Irgasan DP 300, Caswell No. 186A, Lexol 300, COLGATE TOTAL

Molecular Formula:	C₁₂H₇Cl₃O₂	Molecular Weight:	289.541780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-N

• (R)-(+)-3-(Boc-amino)pyrrolidine

IUPAC Name: tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate | CAS Registry Number: 122536-77-0
Synonyms: (R)-3-(Boc-amino)pyrrolidine, (r)-3-n-boc-aminopyrrolidine, (r)-tert-butyl pyrrolidin-3-ylcarbamate, (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine, (R)-3-Boc-aminopyrrolidine, (3R)-(+)-3-(Boc-amino)pyrrolidine, tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate, (R)-3-(+)-(Boc-amino)pyrrolidine, AG-D-48923, (r)-pyrrolidin-3-yl-carbamic acid tert-butyl ester, tert-Butyl (R)-3-pyrrolidinylcarbamate, tert-butyl (3R)-pyrrolidin-3-ylcarbamate, r-3bocap, AC1LTTGB, PubChem11223, SureCN183834, AC1Q1MT8, (r)-3n-boc-aminopyrrolidine, KSC496Q5N, r-3-(boc-amino)-pyrrolidine

Molecular Formula:	C₉H₁₈N₂O₂	Molecular Weight:	186.251420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DQQJBEAXSOOCPG-SSDOTTSWSA-N

• (R)-4-N-Boc-2-methylpiperazine

IUPAC Name: tert-butyl (3R)-3-methylpiperazine-1-carboxylate | CAS Registry Number: 163765-44-4
Synonyms: 674761_ALDRICH, (R)-1-Boc-3-methylpiperazine, (R)-4-Boc-2-methylpiperazine, 08571_FLUKA, (R)-2-Methyl-1-Boc-piperazine, FS011292, TL8006206, tert-Butyl (R)-3-methyl-1-piperazinecarboxylate

Molecular Formula:	C₁₀H₂₀N₂O₂	Molecular Weight:	200.278000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N

• (R)-N-Benzyl-3-AminoPyrrolidine

IUPAC Name: (3R)-1-(phenylmethyl)pyrrolidin-3-amine | CAS Registry Number: 114715-39-8
Synonyms: 1-Benzyl-3-aminopyrrolidine, 536601_ALDRICH, (R)-1-benzyl-3-Aminopyrrolidine, C-3151R, SL-02159, TL8000416, (R)-(−)-1-Benzyl-3-aminopyrrolidine

Molecular Formula:	C₁₁H₁₆N₂	Molecular Weight:	176.258140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HBVNLKQGRZPGRP-LLVKDONJSA-N

• (S)(-) Alpha Methyl Benzyl Amine

IUPAC Name: (1S)-1-phenylethanamine | CAS Registry Number: 2627-86-3
Synonyms: L-alpha-Methylbenzylamine, (-)-alpha-Phenethylamine, (1S)-1-phenylethanamine, L-(-)-1-Phenylethylamine, ALPHA-METHYLBENZYLAMINE, L(-)-alpha-Methylbenzylamine, L-(-)-alpha-Phenylethylamine, (S)-alpha-Methylbenzenemethanamine, 115568_ALDRICH, 77869_FLUKA, 77870_FLUKA, CHEBI:35321, (S)-(-)-alpha-Methylbenzylamine, EINECS 220-098-0, (alphaS)-alpha-methylbenzenemethanamine, (S)-(−)-1-Phenylethylamine, SL-00444, (S)-(−)-alpha-Methylbenzylamine, Benzenemethanamine, alpha-methyl-, (alphaS)-, 137577-63-0

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RQEUFEKYXDPUSK-ZETCQYMHSA-N

• (S)-N-boc-3-Amino-Pyrrolidine

IUPAC Name: tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate | CAS Registry Number: 147081-44-5
Synonyms: (s)-1-boc-3-aminopyrrolidine, (S)-3-Amino-1-N-BOC-pyrrolidine, (S)-(-)-1-Boc-3-aminopyrrolidine, (S)-3-Amino-N-Boc-pyrrolidine, s-bocap, (S)-3-Amino-1-Boc-pyrrolidine, (s)-(-)-boc-3-aminopyrrolidine, (S)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine, (S)-1-N-Boc-3-Aminopyrrolidine, (s)-tert-butyl 3-aminopyrrolidine-1-carboxylate, tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate, (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine, (s)-(-)-n-boc-3-aminopyrrolidine, (s)-(-)-1-tboc-3-aminopyrrolidine, (3S)-(-)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine, AG-D-91847, (3S)-(-)-1-Boc-3-aminopyrrolidine, (s)-n-tert-butoxycarbonyl-3-aminopyrrolidine, ST50825256, (s)-3-amino-1-tert-butoxycarbonylpyrrolidine

Molecular Formula:	C₉H₁₈N₂O₂	Molecular Weight:	186.251420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CMIBWIAICVBURI-ZETCQYMHSA-N

• (S)-Piperazine-2-Carboxylic Acid Dihydro Chloride

IUPAC Name: (2S)-piperazine-2-carboxylic acid;dihydrochloride | CAS Registry Number: 158663-69-5
Synonyms: (S)-Piperazine-2-carboxylic acid dihydrochloride, (S)-2-Piperazinecarboxylic acid dihydrochloride, (S)-Piperazine-2-carboxylic acid 2HCl, (2S)-piperazine-2-carboxylic acid dihydrochloride, (S)-Piperazine-2-carboxylic acid 2HCl, (S)-(-)-Piperazine-2-carboxylic acid 2HCl, (2S)-(-)-2-Carboxypiperazine dihydrochloride, 2-Piperazinecarboxylic acid, hydrochloride (1:2), (2S)-, PubChem6078, PubChem13115, SureCN780213, AC1MC0Q2, (S)-(-)-2-PIPERAZINECARBOXYLIC ACID DIHYDROCHLORIDE, KSC174I9T, Jsp003145, 03567_FLUKA, CTK0H4499, MolPort-002-053-720, BH789, ACN-S002925

Molecular Formula:	C₅H₁₂Cl₂N₂O₂	Molecular Weight:	203.066980 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	4

InChIKey: WNSDZBQLMGKPQS-FHNDMYTFSA-N

• (S)-Piperazine-2-carboxylic acid dihydrochloride (CAS: 138663-69-5)

• 1,3-Dinitrobenzene

IUPAC Name: 1,3-dinitrobenzene | CAS Registry Number: 99-65-0
Synonyms: Dinitrobenzene, Benzene, m-dinitro-, M-DINITROBENZENE, meta-Dinitrobenzene, Binitrobenzene, Dwunitrobenzen, 1,3-Dinitrobenzol, Benzene, 1,3-dinitro-, 2,4-Dinitrobenzene, 3-dinitrobenzene, Dinitrobenzene, m-, DINITROPHENYLENE, m-DNB, Dwunitrobenzen [Polish], Dinitrobenzene, all isomers, WLN: WNR CNW, CCRIS 1802, ghl.PD_Mitscher_leg0.916, HSDB 4017, D194255_ALDRICH

Molecular Formula:	C₆H₄N₂O₄	Molecular Weight:	168.106960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WDCYWAQPCXBPJA-UHFFFAOYSA-N

• 1,3-Dithiane

IUPAC Name: 1,3-dithiane | CAS Registry Number: 505-23-7
Synonyms: m-DITHIANE, 1,3-Dithiacyclohexane, 1,3-dithian, Dithiane-1,3, Dithiane-1,3 [French], CCRIS 6777, 157872_ALDRICH, CHEBI:47845, EINECS 208-006-7, NSC 157830, NSC157830, ZINC03861206, AI3-62288, LS-63109, TL8003353, InChI=1/C4H8S2/c1-2-5-4-6-3-1/h1-4H

Molecular Formula:	C₄H₈S₂	Molecular Weight:	120.236320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: WQADWIOXOXRPLN-UHFFFAOYSA-N

• 1-(N-Butyl)piperazine

IUPAC Name: 1-butylpiperazine | CAS Registry Number: 5610-49-1
Synonyms: N-Butylpiperazine, 1-Butylpiperazine, 77887_FLUKA, ALBB-002176, CID424322, NSC163107, SBB005884, TL8003645

Molecular Formula:	C₈H₁₈N₂	Molecular Weight:	142.241920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YKSVXVKIYYQWBB-UHFFFAOYSA-N

• 1-(P-Toluenesulfonyl)Imidazole

IUPAC Name: 1-(4-methylphenyl)sulfonylimidazole | CAS Registry Number: 2232-08-8
Synonyms: 1-Tosylimidazole, N-Tosylimidazole, 1-(p-Toluenesulfonyl)imidazole, 1-(p-Toluenesulphonyl)imidazole, 244244_ALDRICH, EINECS 218-771-9, Imidazole, 1-(p-tolylsulfonyl)-, NSC669590, AIDS145158, AIDS-145158, 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole, NSC109348, ZINC00120110, 1H-Imidazole, 1-[(4-methylphenyl)sulfonyl]-, 1-((4-Methylphenyl)sulfonyl)-1H-imidazole, LS-184919, ST5307180, AN-584/43416180

Molecular Formula:	C₁₀H₁₀N₂O₂S	Molecular Weight:	222.263600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YJYMYJRAQYREBT-UHFFFAOYSA-N

• 1-ethyl-4-iodobenzene

IUPAC Name: ethyl 4-iodobenzoate | CAS Registry Number: 51934-41-9
Synonyms: Ethyl 4-iodobenzoate, p-Iodobenzoic acid ethyl ester, 641979_ALDRICH, 66952_FLUKA, 75022_FLUKA, ZINC00157316

Molecular Formula:	C₉H₉IO₂	Molecular Weight:	276.071030 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YCBJOQUNPLTBGG-UHFFFAOYSA-N

• 1-Methylindole

IUPAC Name: 1-methylindole | CAS Registry Number: 603-76-9
Synonyms: N-Methylindole, 1-Methyl-1H-indole, Indole, 1-methyl-, 1H-Indole, 1-methyl-, 1-METHYLINDOLE, Ambap4500, 1-Methylindole (N-), Indole, 1-methyl- (8CI), 193984_ALDRICH, CID11781, EINECS 210-057-5, NSC212534, ZINC01750961, NSC 212534, LS-83245, M-3893, InChI=1/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H

Molecular Formula:	C₉H₉N	Molecular Weight:	131.174460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BLRHMMGNCXNXJL-UHFFFAOYSA-N

• 1-N-Boc-Piperazine

IUPAC Name: tert-butyl piperazine-1-carboxylate | CAS Registry Number: 57260-71-6
Synonyms: 1-Boc-piperazine, 1-N-Boc-piperazine, t-Butyl 1-piperazincarboxylate, N-t-Butoxycarbonylpiperazine, t-Butyl 1-piperaziencarboxylate, 343536_ALDRICH, ARONIS005638, tert-butyl piperazine-1-carboxylate, 15502_FLUKA, ST5210645, TL8003687, 1-piperazinecarboxylic acid, 1,1-dimethylethyl ester, InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H

Molecular Formula:	C₉H₁₈N₂O₂	Molecular Weight:	186.251420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N

• 2,3-Dibromo-1,4-Butanediol

IUPAC Name: 2,3-dibromobutane-1,4-diol | CAS Registry Number: 20163-90-0
Synonyms: dl-2,3-Dibromo-1,4-butanediol, 2,3-Dibromo-1,4-butanediol, 2,3-Dibromobutane-1,4-diol, 301043_ALDRICH, EINECS 217-750-1, 1,4-Butanediol, 2,3-dibromo-, 1,4-Butanediol, d,l-2,3-dibromo-, BRN 1719778, LS-45817, (R*,R*)-(1)-2,3-Dibromobutane-1,4-diol, 1,4-BUTANEDIOL, 2,3-DIBROMO-, (+,-)-, 4-01-00-02522 (Beilstein Handbook Reference), 1,4-Butanediol, 2,3-dibromo-, (R*,R*)-(.+/-.)-, 1947-58-6

Molecular Formula:	C₄H₈Br₂O₂	Molecular Weight:	247.913120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OXYNQEOLHRWEPE-UHFFFAOYSA-N

• 2,4-Dichloro-5-methoxypyrimidine

IUPAC Name: 2,4-dichloro-5-methoxypyrimidine | CAS Registry Number: 19646-07-2
Synonyms: 2,4-Dichloro-5-methoxy-pyrimidine, 2,4-Dichloro-5-methoxy pyrimidine, AG-E-43493, 2,4-dichloropyrimidin-5-yl methyl ether, AO-324/25087002, ZINC02028830, PubChem7076, AC1LCJLG, KSC490S5L, ACMC-209f08, 679089_ALDRICH, CTK3J0955, MolPort-001-769-223, ACN-S001724, ACT01277, ANW-23718, SBB089497, WTI-11638, AKOS005256731, AB12653

Molecular Formula:	C₅H₄Cl₂N₂O	Molecular Weight:	179.004060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZTHHRSBDBPCCMZ-UHFFFAOYSA-N

• 2,5-Difluoroaniline

IUPAC Name: 2,5-difluoroaniline | CAS Registry Number: 367-30-6
Synonyms: Aniline, 2,5-difluoro-, Benzenamine, 2,5-difluoro-, Ambap3048, 196606_ALDRICH, NSC3259, JRD-0068, EINECS 206-690-1, ZINC00388527, AI3-52637, TL8002713, InChI=1/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H

Molecular Formula:	C₆H₅F₂N	Molecular Weight:	129.107406 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YNOOQIUSYGWMSS-UHFFFAOYSA-N

• 2,5-Dimethylthiophene

IUPAC Name: 2,5-dimethylthiophene | CAS Registry Number: 638-02-8
Synonyms: 2,5-DIMETHYLTHIOPHENE, Thiophene, 2,5-dimethyl-, D188603_ALDRICH, W515507_ALDRICH, NSC60689, EINECS 211-313-9, ZINC01690407, TL8004491, InChI=1/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H

Molecular Formula:	C₆H₈S	Molecular Weight:	112.192720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: GWQOOADXMVQEFT-UHFFFAOYSA-N

• 2,6-Diaminoanthraquinone

IUPAC Name: 2,6-diaminoanthracene-9,10-dione | CAS Registry Number: 131-14-6
Synonyms: 2,6-Anthraquinonyldiamine, 2,6-Diaminoanthrachinon, CCRIS 5604, 2,6-Diamino-9,10-anthraquinone, D12007_ALDRICH, 9,10-Anthracenedione, 2,6-diamino-, 2,6-Diaminoanthrachinon [Czech], ANTHRAQUINONE, 2,6-DIAMINO-, NSC39935, EINECS 205-013-7, CID8557, NSC 39935, BRN 2809383, ZINC03874039, WLN: L C666 BV IVJ EZ LZ, AI3-52500, LS-20654, LT03333385, 4-14-00-00486 (Beilstein Handbook Reference), 168681-29-6

Molecular Formula:	C₁₄H₁₀N₂O₂	Molecular Weight:	238.241400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WQOWBWVMZPPPGX-UHFFFAOYSA-N

• 2,6-Dimethyl-Nitrobenzene

IUPAC Name: 1,3-dimethyl-2-nitrobenzene | CAS Registry Number: 81-20-9
Synonyms: 2-Nitro-m-xylene, m-Xylene, 2-nitro-, 1,3-Dimethyl-2-nitrobenzene, 2,6-Dimethylnitrobenzene, Benzene, 1,3-dimethyl-2-nitro-, CCRIS 3119, N28353_ALDRICH, WLN: WNR B1 F1, 442243_SUPELCO, NSC 9811, 40900_FLUKA, EINECS 201-333-6, NSC9811, 2,6-DIMETHYL NITROBENZENE, BRN 2046066, ZINC01700198, LS-1808, NCGC00091683-01, NCGC00091683-02, TL8005430

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HDFQKJQEWGVKCQ-UHFFFAOYSA-N

• 2-Acetyl-4-Methyl Pyridine

IUPAC Name: 1-(4-methylpyridin-2-yl)ethanone | CAS Registry Number: 59576-26-0
Synonyms: 2-Acetyl-4-methylpyridine, 1-(4-methylpyridin-2-yl)ethanone, 1-(4-Methyl-2-pyridinyl)ethanone, 2-Acetyl-4-picoline, SBB055566, 1-(4-Methyl-pyridin-2-yl)-ethanone, Ethanone, 1-(4-methyl-2-pyridinyl)-, PubChem4045, ACMC-209meh, AC1Q5FZN, SureCN397492, AC1LBV08, KSC269G4R, 499234_ALDRICH, CTK1G9348, MolPort-003-935-347, KST-1B6079, ACT09887, AB1018, ANW-33303

Molecular Formula:	C₈H₉NO	Molecular Weight:	135.163160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HRVQMQWVGKYDCF-UHFFFAOYSA-N

• 2-Adamantanone oxime

IUPAC Name: N-(2-adamantylidene)hydroxylamine | CAS Registry Number: 4500-12-3
Synonyms: Adamantanone oxime, 2-Adamantanone, oxime, Adamantanone-2-oxime, 2-Hydroxyiminoadamantane, 2-Isonitrosoadamantane, Ambap6059, 95258_FLUKA, EINECS 224-807-4, NSC 127840, CID64158, Tricyclo(3.3.1.13,7)decanone oxime, NSC127840, SBB009853, ZINC00156568, Tricyclo[3.3.1.13,7]decanone, oxime, LS-15047, Tricyclo(3.3.1.1(sup 3,7))decanone, oxime, Tricyclo[3.3.1.1(3,7)-]decan-7-one, oxime

Molecular Formula:	C₁₀H₁₅NO	Molecular Weight:	165.232200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RABVIFXMFZFITE-UHFFFAOYSA-N

• 2-Amino-4-chloropyrimidine

IUPAC Name: 4-chloropyrimidin-2-amine | CAS Registry Number: 3993-78-0
Synonyms: 4-Chloro-2-pyrimidinamine, 4-Chloro-2-aminopyrimidine, 661325_ALDRICH, AIDS020789, AIDS-020789, NSC10872, NSC25184, CID223332, TL8002886, AC-907/30002014

Molecular Formula:	C₄H₄ClN₃	Molecular Weight:	129.547660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DBGFGNCFYUNXLD-UHFFFAOYSA-N

• 2-Amino-5-Bromo Pyridine

IUPAC Name: 5-bromopyridin-2-amine | CAS Registry Number: 1072-97-5
Synonyms: 2-Amino-5-bromopyridine, 5-bromopyridin-2-amine, 5-Bromo-2-pyridylamine, Maybridge1_001149, 5-bromopyridin-2-ylamine, 2-Pyridinamine, 5-bromo-, 122858_ALDRICH, EINECS 214-019-9, NSC26282, SBB003823, TL806353, LS-184905, AJ-333/25022117

Molecular Formula:	C₅H₅BrN₂	Molecular Weight:	173.010600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

• 2-Bromo benzene sulfon amide

IUPAC Name: 2-bromobenzenesulfonamide | CAS Registry Number: 92748-09-9
Synonyms: 2-Bromobenzenesulfonamide, 2-Bromobenzene-1-sulfonamide, 644609_ALDRICH, ZINC00157049, CID2801263, FS000871, ST5408811, TL8006880

Molecular Formula:	C₆H₆BrNO₂S	Molecular Weight:	236.086340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YSFGGXNLZUSHHS-UHFFFAOYSA-N

• 2-Bromo-5-Nitro Pyridine

IUPAC Name: 2-bromo-5-nitropyridine | CAS Registry Number: 4487-59-6
Synonyms: 2-Bromo-5-nitropyridine, 2-bromo-5-(nitro)pyridine, TPC-PY095, 324833_ALDRICH, NSC73702, EINECS 224-777-2, SBB003519, ZINC00331610, B214, TL8003125, AC-907/25014031, InChI=1/C5H3BrN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3

Molecular Formula:	C₅H₃BrN₂O₂	Molecular Weight:	202.993520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HUUFTVUBFFESEN-UHFFFAOYSA-N

• 2-Bromo-5-nitropyridine

IUPAC Name: 3-bromo-5-nitropyridine | CAS Registry Number: 15862-30-3
Synonyms: 3-Bromo-5-nitropyridine, AC1MC7IE, ACMC-1BQK8, 3-Bromo-5-nitropyridine,, SureCN529746, Pyridine,3-bromo-5-nitro-, 3-bromanyl-5-nitro-pyridine, CTK4C9760, MolPort-003-824-148, ANW-21776, CL0163, PYRIDINE, 3-BROMO-5-NITRO-, SBB065359, WTI-10724, ZINC14982289, AKOS015833832, AB17991, AG-L-22193, QC-6608, RP25972

Molecular Formula:	C₅H₃BrN₂O₂	Molecular Weight:	202.993520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WHYJVHQKKJHXTB-UHFFFAOYSA-N

• 2-Chloro-4-nitrophenol

IUPAC Name: 2-chloro-4-nitrophenol | CAS Registry Number: 619-08-9
Synonyms: Nitrofungin, Nitrofurgin, Phenol, 2-chloro-4-nitro-, 2-CHLORO-4-NITROPHENOL, MET669A_SUPELCO, WLN: WNR DQ CG, C61208_ALDRICH, NSC 1316, EINECS 210-578-8, NSC1316, BRN 2046372, LS-104253, TL8003977, 4-06-00-01353 (Beilstein Handbook Reference), T5421465, InChI=1/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9, 38731-70-3

Molecular Formula:	C₆H₄ClNO₃	Molecular Weight:	173.553860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BOFRXDMCQRTGII-UHFFFAOYSA-N

• 2-Ethyl Phenol

IUPAC Name: 2-ethylphenol | CAS Registry Number: 90-00-6
Synonyms: o-Ethylphenol, Phlorol, Phenol, 2-ethyl-, Phenol, o-ethyl-, o-Ethyl phenol, 2-ETHYLPHENOL, Florol [Czech], Phenol, ethyl-, Ambap74, 1-Ethyl-2-hydroxybenzene, 1-Hydroxy-2-ethylbenzene, ETHYLPHENOL, Benzene, 1-ethyl-2-hydroxy-, CCRIS 6038, E44000_ALDRICH, HSDB 5267, 36609_RIEDEL, SGCUT00114, EINECS 201-958-4, NSC 10112

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

InChIKey: IXQGCWUGDFDQMF-UHFFFAOYSA-N