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113741-01-8 | 1H-Imidazole-1-ethanamine, 2-methyl-
CAS No: 113741-01-8 Catalog No: AG0009IE MDL No:MFCD06803453
Product Description
Catalog Number:
AG0009IE
Chemical Name:
1H-Imidazole-1-ethanamine, 2-methyl-
CAS Number:
113741-01-8
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD06803453
IUPAC Name:
2-(2-methylimidazol-1-yl)ethanamine
InChI:
InChI=1S/C6H11N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4,7H2,1H3
InChI Key:
QKVROWZQJVDFSO-UHFFFAOYSA-N
SMILES:
Cc1nccn1CCN
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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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