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89269-05-6 | 2-Propenoic acid,2-cyano-3-(octylamino)-, butyl ester
CAS No: 89269-05-6 Catalog No: AG0041Q6 MDL No:
Product Description
Catalog Number:
AG0041Q6
Chemical Name:
2-Propenoic acid,2-cyano-3-(octylamino)-, butyl ester
CAS Number:
89269-05-6
Molecular Formula:
C16H28N2O2
Molecular Weight:
280.4057
IUPAC Name:
butyl 2-cyano-3-(octylamino)prop-2-enoate
InChI:
InChI=1S/C16H28N2O2/c1-3-5-7-8-9-10-11-18-14-15(13-17)16(19)20-12-6-4-2/h14,18H,3-12H2,1-2H3
InChI Key:
ZCGBYIKUADPDHQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCN/C=C(/C(=O)OCCCC)\C#N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.215g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.412g/mol
Monoisotopic Mass:
280.215g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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