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164648-60-6 | 1H-Benzimidazole-6-methanamine
CAS No: 164648-60-6 Catalog No: AG001UZQ MDL No:MFCD09754158
Product Description
Catalog Number:
AG001UZQ
Chemical Name:
1H-Benzimidazole-6-methanamine
CAS Number:
164648-60-6
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
MDL Number:
MFCD09754158
IUPAC Name:
3H-benzimidazol-5-ylmethanamine
InChI:
InChI=1S/C8H9N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2,(H,10,11)
InChI Key:
WHYXSYWCALWOKX-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)[nH]cn2
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.181g/mol
Monoisotopic Mass:
147.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| 5-Aminomethyl-1H-benzimidazoles as orally active inhibitors of inducible T-cell kinase (Itk). | Bioorganic & medicinal chemistry letters 20081015 |
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