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89394-46-7 | 2-Propenoic acid, 2-cyano-3-(decylamino)-, 3-ethoxypropyl ester
CAS No: 89394-46-7 Catalog No: AG003WJR MDL No:
Product Description
Catalog Number:
AG003WJR
Chemical Name:
2-Propenoic acid, 2-cyano-3-(decylamino)-, 3-ethoxypropyl ester
CAS Number:
89394-46-7
Molecular Formula:
C19H34N2O3
Molecular Weight:
338.4849
IUPAC Name:
3-ethoxypropyl 2-cyano-3-(decylamino)prop-2-enoate
InChI:
InChI=1S/C19H34N2O3/c1-3-5-6-7-8-9-10-11-13-21-17-18(16-20)19(22)24-15-12-14-23-4-2/h17,21H,3-15H2,1-2H3
InChI Key:
CXGNRZCHCWZFAV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNC=C(C(=O)OCCCOCC)C#N
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.257g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.492g/mol
Monoisotopic Mass:
338.257g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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