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26286-54-4 | Benzenamine, 2-(1H-imidazol-1-yl)-
CAS No: 26286-54-4 Catalog No: AG002SLJ MDL No:MFCD03274531
Product Description
Catalog Number:
AG002SLJ
Chemical Name:
Benzenamine, 2-(1H-imidazol-1-yl)-
CAS Number:
26286-54-4
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD03274531
IUPAC Name:
2-imidazol-1-ylaniline
InChI:
InChI=1S/C9H9N3/c10-8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H,10H2
InChI Key:
HVECTIQVQPUSEX-UHFFFAOYSA-N
SMILES:
Nc1ccccc1n1cncc1
NSC Number:
266463
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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