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127598-83-8 | Benzenamine, 4-methyl-N-[(2E)-3-phenyl-2-propen-1-yl]-
CAS No: 127598-83-8 Catalog No: AG000X7N MDL No:
Product Description
Catalog Number:
AG000X7N
Chemical Name:
Benzenamine, 4-methyl-N-[(2E)-3-phenyl-2-propen-1-yl]-
CAS Number:
127598-83-8
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
4-methyl-N-(3-phenylprop-2-enyl)aniline
InChI:
InChI=1S/C16H17N/c1-14-9-11-16(12-10-14)17-13-5-8-15-6-3-2-4-7-15/h2-12,17H,13H2,1H3
InChI Key:
XCQQNUAZHXOTJO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC/C=C/c1ccccc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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