AG0012F9

1368310-81-9 | 2-(Methylamino)-1H-benzo[d]imidazole-5-carboxylic acid

AG0012F9

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CAS Number	1368310-81-9
Catalog Number	AG0012F9(AGN-PC-0WANBX)
Chemical Name	2-(Methylamino)-1H-benzo[d]imidazole-5-carboxylic acid
IUPAC Name	2-(methylamino)-3H-benzimidazole-5-carboxylic acid
InChI	InChI=1S/C9H9N3O2/c1-10-9-11-6-3-2-5(8(13)14)4-7(6)12-9/h2-4H,1H3,(H,13,14)(H2,10,11,12)
InChI Key	STZFNUKQFCVIQM-UHFFFAOYSA-N
MDL Number	MFCD24502732
Molecular Formula	C9H9N3O2
Molecular Weight	191.1867
SMILES	CNC1=NC2=CC(=CC=C2N1)C(O)=O
Synonyms	2-(Methylamino)-1H-benzo[d]imidazole-5-carboxylic acid, 1368310-81-9, 1H-Benzimidazole-6-carboxylic acid, 2-(methylamino)-, AK149449, SCHEMBL2671311, STZFNUKQFCVIQM-UHFFFAOYSA-N, KS-00000S6T, MFCD24502732, ZINC82740295, AKOS022189111, AKOS024017064, DS-9155, FCH1813651, AX8286724, 2-(methylamino)-3H-benzimidazole-5-carboxylic acid,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	191.19g/mol
Monoisotopic Mass	191.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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