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101-12-2 | Benzamide, 3-amino-N-(3-aminophenyl)-
CAS No: 101-12-2 Catalog No: AG0003EZ MDL No:
Product Description
Catalog Number:
AG0003EZ
Chemical Name:
Benzamide, 3-amino-N-(3-aminophenyl)-
CAS Number:
101-12-2
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
3-amino-N-(3-aminophenyl)benzamide
InChI:
InChI=1S/C13H13N3O/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,14-15H2,(H,16,17)
InChI Key:
OMIOAPDWNQGXED-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)NC(=O)c1cccc(c1)N
EC Number:
202-917-3
NSC Number:
13968
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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