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137496-53-8 | 1-Propen-1-amine, N-(2-methylpropyl)-2-phenyl-N-2-propen-1-yl-
CAS No: 137496-53-8 Catalog No: AG0013DJ MDL No:
Product Description
Catalog Number:
AG0013DJ
Chemical Name:
1-Propen-1-amine, N-(2-methylpropyl)-2-phenyl-N-2-propen-1-yl-
CAS Number:
137496-53-8
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
2-methyl-N-(2-phenylprop-1-enyl)-N-prop-2-enylpropan-1-amine
InChI:
InChI=1S/C16H23N/c1-5-11-17(12-14(2)3)13-15(4)16-9-7-6-8-10-16/h5-10,13-14H,1,11-12H2,2-4H3
InChI Key:
IJKZFLXCZYAWPV-UHFFFAOYSA-N
SMILES:
C=CCN(C=C(c1ccccc1)C)CC(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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