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88346-69-4 | Benzamide, 2-amino-N-(5-cyanopentyl)-
CAS No: 88346-69-4 Catalog No: AG0046FB MDL No:
Product Description
Catalog Number:
AG0046FB
Chemical Name:
Benzamide, 2-amino-N-(5-cyanopentyl)-
CAS Number:
88346-69-4
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
IUPAC Name:
2-amino-N-(5-cyanopentyl)benzamide
InChI:
InChI=1S/C13H17N3O/c14-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)15/h3-4,7-8H,1-2,5-6,10,15H2,(H,16,17)
InChI Key:
BIKFETJMPBNCGH-UHFFFAOYSA-N
SMILES:
N#CCCCCCNC(=O)c1ccccc1N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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