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20964-98-1 | 3-Buten-2-one, 4-phenyl-4-[(phenylmethyl)amino]-
CAS No: 20964-98-1 Catalog No: AG002KCC MDL No:
Product Description
Catalog Number:
AG002KCC
Chemical Name:
3-Buten-2-one, 4-phenyl-4-[(phenylmethyl)amino]-
CAS Number:
20964-98-1
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
4-(benzylamino)-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C17H17NO/c1-14(19)12-17(16-10-6-3-7-11-16)18-13-15-8-4-2-5-9-15/h2-12,18H,13H2,1H3
InChI Key:
YGTPELPQVFHJHO-UHFFFAOYSA-N
SMILES:
CC(=O)C=C(c1ccccc1)NCc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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