AG002218

1805-02-3 | 1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-

AG002218

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CAS Number	1805-02-3
Catalog Number	AG002218(AGN-PC-0JLBOO)
Chemical Name	1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-
IUPAC Name	5-methoxy-1-methylbenzimidazol-2-amine
InChI	InChI=1S/C9H11N3O/c1-12-8-4-3-6(13-2)5-7(8)11-9(12)10/h3-5H,1-2H3,(H2,10,11)
InChI Key	BTSAWSKQHDFYIU-UHFFFAOYSA-N
MDL Number	MFCD01658296
Molecular Formula	C9H11N3O
Molecular Weight	177.2031
SMILES	CN1C2=CC=C(OC)C=C2N=C1N
Synonyms	1805-02-3, 2-Amino-5-methoxy-1-methylbenzimidazole, 1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-, CCRIS 4366, 5-Methoxy-1-methyl-2-aminobenzimidazole, 5-Methoxy-1-methyl-1H-benzimidazol-2-amine, 5-methoxy-1-methylbenzimidazol-2-amine, BRN 0152972, 5-Methoxy-1-methyl-1H-benzo[d]imidazol-2-amine, AC1L2M4U, 5-25-13-00096 (Beilstein Handbook Reference), SCHEMBL5456024, CTK4D7630, KS-00000MTM, DTXSID10170965, 5452AJ, MFCD01658296, ZINC13208866, AKOS006279559, AJ-63476, AK-47957, DS-14549, LS-32563, SY027887, FT-0692756, 1H-Benzimidazol-2-amine,5-methoxy-1-methyl-, MFCD01658296 (95%), 5-methoxy-1-methyl-1H-1,3-benzodiazol-2-amine, C9H11N3O, C9-H11-N3-O, CID74545,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.207g/mol
Monoisotopic Mass	177.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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