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88505-31-1 | Benzenamine, N-hexyl-N-(3-methyl-2-butenyl)-
CAS No: 88505-31-1 Catalog No: AG00491P MDL No:
Product Description
Catalog Number:
AG00491P
Chemical Name:
Benzenamine, N-hexyl-N-(3-methyl-2-butenyl)-
CAS Number:
88505-31-1
Molecular Formula:
C17H27N
Molecular Weight:
245.4030
IUPAC Name:
N-hexyl-N-(3-methylbut-2-enyl)aniline
InChI:
InChI=1S/C17H27N/c1-4-5-6-10-14-18(15-13-16(2)3)17-11-8-7-9-12-17/h7-9,11-13H,4-6,10,14-15H2,1-3H3
InChI Key:
FQEBUCUNPUCLGJ-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1ccccc1)CC=C(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.41g/mol
Monoisotopic Mass:
245.214g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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