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7409-18-9 | (3-nitrophenyl)methanamine
CAS No: 7409-18-9 Catalog No: AG0036KS MDL No:MFCD03411003
Product Description
Catalog Number:
AG0036KS
Chemical Name:
(3-nitrophenyl)methanamine
CAS Number:
7409-18-9
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD03411003
IUPAC Name:
(3-nitrophenyl)methanamine
InChI:
InChI=1S/C7H8N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5,8H2
InChI Key:
CIUYJYRQKYGNQP-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)[N+](=O)[O-]
EC Number:
247-502-8
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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