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89269-44-3 | 2-Propenoic acid, 2-cyano-3-(decylamino)-, 2-butoxyethyl ester
CAS No: 89269-44-3 Catalog No: AG0041CD MDL No:
Product Description
Catalog Number:
AG0041CD
Chemical Name:
2-Propenoic acid, 2-cyano-3-(decylamino)-, 2-butoxyethyl ester
CAS Number:
89269-44-3
Molecular Formula:
C20H36N2O3
Molecular Weight:
352.5114
IUPAC Name:
2-butoxyethyl 2-cyano-3-(decylamino)prop-2-enoate
InChI:
InChI=1S/C20H36N2O3/c1-3-5-7-8-9-10-11-12-13-22-18-19(17-21)20(23)25-16-15-24-14-6-4-2/h18,22H,3-16H2,1-2H3
InChI Key:
CQSJWIKPVIPYNP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNC=C(C(=O)OCCOCCCC)C#N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.273g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.519g/mol
Monoisotopic Mass:
352.273g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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