CAS 155242-98-1 | 1H-Benzimidazol-4-amine, 1-methyl- | CAS Number 155242-98-1

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155242-98-1 | 1H-Benzimidazol-4-amine, 1-methyl-

CAS No: 155242-98-1 Catalog No: AG001NQX MDL No:MFCD03426092

Product Description

Catalog Number:

AG001NQX

Chemical Name:

1H-Benzimidazol-4-amine, 1-methyl-

CAS Number:

155242-98-1

Molecular Formula:

C8H9N3

Molecular Weight:

147.1772

MDL Number:

MFCD03426092

IUPAC Name:

1-methylbenzimidazol-4-amine

InChI:

InChI=1S/C8H9N3/c1-11-5-10-8-6(9)3-2-4-7(8)11/h2-5H,9H2,1H3

InChI Key:

ZMGUPDYARSYEFP-UHFFFAOYSA-N

SMILES:

Cn1cnc2c1cccc2N

Properties

Complexity:

148

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

147.181g/mol

Monoisotopic Mass:

147.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Metal ion-binding properties of 1-methyl-4-aminobenzimidazole (=9-methyl-1,3-dideazaadenine) and 1,4-dimethylbenzimidazole (=6,9-dimethyl-1,3-dideazapurine). quantification of the steric effect of the 6-amino group on metal ion binding at the N7 site of the adenine residue.	Inorganic chemistry 20010521