AG00I89E

42823-46-1 | Benzoic acid, 4-​[(aminoiminomethyl)​amino]​-​, hydrochloride (1:1)

AG00I89E

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CAS Number	42823-46-1
Catalog Number	AG00I89E(AGN-PC-0WAAGC)
Chemical Name	Benzoic acid, 4-​[(aminoiminomethyl)​amino]​-​, hydrochloride (1:1)
EC Number	255-956-3
IUPAC Name	4-(diaminomethylideneamino)benzoic acid;hydrochloride
InChI	InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H
InChI Key	YETFLAUJROGBMC-UHFFFAOYSA-N
MDL Number	MFCD00040587
Molecular Formula	C8H10ClN3O2
Molecular Weight	215.6369
NSC Number	163526
SMILES	Cl.N(C(=N)N)c1ccc(cc1)C(=O)O
Synonyms	4-Guanidinobenzoic acid hydrochloride, 42823-46-1, N-(4-Carboxyphenyl)guanidine hydrochloride, 4-Guanidinobenzoic acid HCl, 4-carbamimidamidobenzoic acid hydrochloride, MFCD00040587, 4-guanidino benzoic acid hydrochloride, Benzoic acid, 4-[(aminoiminomethyl)amino]-, monohydrochloride, 4-(amidinoamino)benzoic acid, chloride, EINECS 255-956-3, PubChem14981, PubChem14993, AC1MJ3ES, N-(4-carboxyphenyl) guanidine hydrochloride, ACMC-1AN3M, KSC494A0J, 4-Guanidinobenzoic acid, HCl, SCHEMBL273175, CTK3J4004, DTXSID40195500, YETFLAUJROGBMC-UHFFFAOYSA-N, ZX-AFC003192, 4-guanidino-benzoic acid-HCl salt, ACN-S004173, ACT01150, BB_NC-03057, CS-D1435, ANW-29872, CG-053, CG0021, NSC163526, SBB003396, AKOS015847066, AKOS032949748, AC-1838, LS41112, NSC-163526, RL03654, RTR-033337, TRA0067098, 4-guanidinobenzoic acid monohydrochloride, N-(4-CARBOXYPHENYL)GUANIDINE HCL, 4-guanidinobenzoic acid hydrochloride salt, AS-12610, BC649897, BP-21359, BR-42393, CC-31467, SC-16604, SY005675, 4-Guanidinobenzoic acid hydrochloride, 99%, AB0012223, AB1000541, AX8011189, N-(4-Carboxyphenyl)guanidine hydrochloride., TL8003032, TR-033337, 4CH-006384, AM20060627, FT-0618572, G0238, ST24033276, MFCD00040587 (96%), EN300-156984, M-2022, 4-Carbamimidamidobenzoic acid hydrochloride (1:1), C-11548, 4-(diaminomethylideneamino)benzoic acid hydrochloride, I01-1478, J-515439, 4-{[amino(imino)methyl]amino}benzoic acid hydrochloride, null, 4-Guanidinobenzoate, para-Guanidinobenzoate, p-Guanidinobenzoic acid, 4-GUANIDINOBENZOIC ACID, C8H10ClN3O2, 374962_ALDRICH, C8-H9-N3-O2.Cl-H, ACN-039761, CID3084875, 4-Guanidinobenzoic acid hydrochloride, 95% 1g, 2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol, 4-(diaminomethylideneamino)benzoic acid;hydrochloride, 4-Guanidinobenzoic acid hydrochloride, 98% - 1G 1g, 16060-65-4,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.046g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	215.637g/mol
Monoisotopic Mass	215.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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