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14191-09-4 | 2-Propenoic acid, 3-phenyl-3-[(phenylmethyl)amino]-, ethyl ester
CAS No: 14191-09-4 Catalog No: AG001HCI MDL No:
Product Description
Catalog Number:
AG001HCI
Chemical Name:
2-Propenoic acid, 3-phenyl-3-[(phenylmethyl)amino]-, ethyl ester
CAS Number:
14191-09-4
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
ethyl 3-(benzylamino)-3-phenylprop-2-enoate
InChI:
InChI=1S/C18H19NO2/c1-2-21-18(20)13-17(16-11-7-4-8-12-16)19-14-15-9-5-3-6-10-15/h3-13,19H,2,14H2,1H3
InChI Key:
BDDUBSXHBUNFBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(c1ccccc1)NCc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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