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88620-51-3 | 2-Buten-1-one, 3-(octylamino)-1-phenyl-
CAS No: 88620-51-3 Catalog No: AG004C9A MDL No:
Product Description
Catalog Number:
AG004C9A
Chemical Name:
2-Buten-1-one, 3-(octylamino)-1-phenyl-
CAS Number:
88620-51-3
Molecular Formula:
C18H27NO
Molecular Weight:
273.4131
IUPAC Name:
3-(octylamino)-1-phenylbut-2-en-1-one
InChI:
InChI=1S/C18H27NO/c1-3-4-5-6-7-11-14-19-16(2)15-18(20)17-12-9-8-10-13-17/h8-10,12-13,15,19H,3-7,11,14H2,1-2H3
InChI Key:
FOVGRGXCJXZZGI-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=CC(=O)c1ccccc1)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.42g/mol
Monoisotopic Mass:
273.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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