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115087-90-6 | 1H-Benzimidazole-2-methanamine, 6-methyl-
CAS No: 115087-90-6 Catalog No: AG000FVF MDL No:MFCD06312157
Product Description
Catalog Number:
AG000FVF
Chemical Name:
1H-Benzimidazole-2-methanamine, 6-methyl-
CAS Number:
115087-90-6
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD06312157
IUPAC Name:
(6-methyl-1H-benzimidazol-2-yl)methanamine
InChI:
InChI=1S/C9H11N3/c1-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)
InChI Key:
DTGZSWYLXQOOPV-UHFFFAOYSA-N
SMILES:
NCc1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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