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144526-33-0 | 2-Butenamide, 3-(butylamino)-N-3-pyridinyl-
CAS No: 144526-33-0 Catalog No: AG001JPE MDL No:
Product Description
Catalog Number:
AG001JPE
Chemical Name:
2-Butenamide, 3-(butylamino)-N-3-pyridinyl-
CAS Number:
144526-33-0
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
IUPAC Name:
3-(butylamino)-N-pyridin-3-ylbut-2-enamide
InChI:
InChI=1S/C13H19N3O/c1-3-4-8-15-11(2)9-13(17)16-12-6-5-7-14-10-12/h5-7,9-10,15H,3-4,8H2,1-2H3,(H,16,17)
InChI Key:
KPMDONWGRQPOME-UHFFFAOYSA-N
SMILES:
CCCCNC(=CC(=O)Nc1cccnc1)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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