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Home > Imidazoles > 94086-79-0
94086-79-0 | 3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ANILINE
CAS No: 94086-79-0 Catalog No: AG005VHN MDL No:
Product Description
Catalog Number:
AG005VHN
Chemical Name:
3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ANILINE
CAS Number:
94086-79-0
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
3-(4,5-dihydro-1H-imidazol-2-yl)aniline
InChI:
InChI=1S/C9H11N3/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5,10H2,(H,11,12)
InChI Key:
HCJAVYDERMMIDO-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C1=NCCN1
EC Number:
301-869-1
UNII:
0196353FZ5
Properties
Complexity:
188
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:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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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