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1805-02-3 | 1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-
CAS No: 1805-02-3 Catalog No: AG002218 MDL No:MFCD01658296
Product Description
Catalog Number:
AG002218
Chemical Name:
1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-
CAS Number:
1805-02-3
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD01658296
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
SMILES:
COc1ccc2c(c1)nc(n2C)N
Properties
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
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