CAS 29096-75-1 | 1H-Benzimidazol-2-amine, 5,6-dimethyl- | CAS Number 29096-75-1

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29096-75-1 | 1H-Benzimidazol-2-amine, 5,6-dimethyl-

CAS No: 29096-75-1 Catalog No: AG002XAF MDL No:MFCD00005597

Product Description

Catalog Number:

AG002XAF

Chemical Name:

1H-Benzimidazol-2-amine, 5,6-dimethyl-

CAS Number:

29096-75-1

Molecular Formula:

C9H11N3

Molecular Weight:

161.2037

MDL Number:

MFCD00005597

IUPAC Name:

5,6-dimethyl-1H-benzimidazol-2-amine

InChI:

InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)

InChI Key:

YPFQISHSXCFZMU-UHFFFAOYSA-N

SMILES:

Nc1[nH]c2c(n1)cc(c(c2)C)C

EC Number:

249-430-2

NSC Number:

208659

Properties

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.208g/mol

Monoisotopic Mass:

161.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
Global and distribution analysis of fluorescence decays and spectrofluorimetric determination of stoichiometry and association constant of the inclusion complex of 2-amino-5,6-dimethyl-benzimidazole with beta-cyclodextrin.	Talanta 20040206