AG003IKN

618-56-4 | 3,5-Diaminobenzoic acid diHCl

AG003IKN

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CAS Number	618-56-4
Catalog Number	AG003IKN(AGN-PC-0T1X64)
Chemical Name	3,5-Diaminobenzoic acid diHCl
EC Number	210-556-8
IUPAC Name	3,5-diaminobenzoic acid;dihydrochloride
InChI	InChI=1S/C7H8N2O2.2ClH/c8-5-1-4(7(10)11)2-6(9)3-5;;/h1-3H,8-9H2,(H,10,11);2*1H
InChI Key	IGPLRBRBTUNCRT-UHFFFAOYSA-N
MDL Number	MFCD00150109
Molecular Formula	C7H10Cl2N2O2
Molecular Weight	225.0725
SMILES	O=C(O)C1=CC(N)=CC(N)=C1.[H]Cl.[H]Cl
Synonyms	3,5-Diaminobenzoic acid dihydrochloride, 618-56-4, 3,5-Diaminobenzoic acid dihydrochloride, 99%, Benzoic acid, 3,5-diamino-, hydrochloride (1:2), ACMC-1B2S7, 3,5-Diaminobenzoic acid diHCl, SCHEMBL4295557, CTK7I7021, ANW-33967, MFCD00012983, 3,5-DiaminobenzoicAcidDihydrochloride, TRA0002372, benzoic acid, 3,5-diamino- dihydrochloride, DB-054009, TC-122712, TL8003963, D0079, FT-0632586, KS-00001217, 3,5- DIAMINO BENZOIC ACID DIHYDROCHLORIDE, 3,5-Diaminobenzoic acid, C7H8N2O2.2ClH, 3,5-Diaminobenzoesaure 2 HCl, C7-H8-N2-O2.2Cl-H, EINECS 210-556-8, NSC 57806, 3,5-Diaminobenzoesaure-Dihydrochlorid, AI3-51087, BENZOIC ACID, 3,5-DIAMINO-, DIHYDROCHLORIDE,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.012g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	225.069g/mol
Monoisotopic Mass	224.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	89.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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