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88107-45-3 | 2-Propenoic acid, 2-cyano-3-[methyl(phenylmethyl)amino]-, pentyl ester
CAS No: 88107-45-3 Catalog No: AG004G2T MDL No:
Product Description
Catalog Number:
AG004G2T
Chemical Name:
2-Propenoic acid, 2-cyano-3-[methyl(phenylmethyl)amino]-, pentyl ester
CAS Number:
88107-45-3
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
pentyl 3-[benzyl(methyl)amino]-2-cyanoprop-2-enoate
InChI:
InChI=1S/C17H22N2O2/c1-3-4-8-11-21-17(20)16(12-18)14-19(2)13-15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11,13H2,1-2H3
InChI Key:
KXKCBZFXCCACEU-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)C(=CN(Cc1ccccc1)C)C#N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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