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880649-49-0 | 2-Buten-1-one, 1-phenyl-3-[[(1S)-1-phenylethyl]amino]-, (2Z)-
CAS No: 880649-49-0 Catalog No: AG008D0V MDL No:
Product Description
Catalog Number:
AG008D0V
Chemical Name:
2-Buten-1-one, 1-phenyl-3-[[(1S)-1-phenylethyl]amino]-, (2Z)-
CAS Number:
880649-49-0
Molecular Formula:
C18H19NO
Molecular Weight:
265.3496
IUPAC Name:
1-phenyl-3-[[(1S)-1-phenylethyl]amino]but-2-en-1-one
InChI:
InChI=1S/C18H19NO/c1-14(13-18(20)17-11-7-4-8-12-17)19-15(2)16-9-5-3-6-10-16/h3-13,15,19H,1-2H3/t15-/m0/s1
InChI Key:
CMYSYFXOFMWQIA-HNNXBMFYSA-N
SMILES:
C/C(=C/C(=O)c1ccccc1)/N[C@H](c1ccccc1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.356g/mol
Monoisotopic Mass:
265.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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