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145913-59-3 | Benzenamine, N-[4-methyl-1-(1-methylethenyl)-5-hexen-1-yl]-
CAS No: 145913-59-3 Catalog No: AG001DIP MDL No:
Product Description
Catalog Number:
AG001DIP
Chemical Name:
Benzenamine, N-[4-methyl-1-(1-methylethenyl)-5-hexen-1-yl]-
CAS Number:
145913-59-3
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
N-(2,6-dimethylocta-1,7-dien-3-yl)aniline
InChI:
InChI=1S/C16H23N/c1-5-14(4)11-12-16(13(2)3)17-15-9-7-6-8-10-15/h5-10,14,16-17H,1-2,11-12H2,3-4H3
InChI Key:
ARFQQSJVXUYCQW-UHFFFAOYSA-N
SMILES:
C=CC(CCC(C(=C)C)Nc1ccccc1)C
Properties
Complexity:
238
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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