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160254-22-8 | [1-(4-Methylphenyl)ethyl](octyl)amine
CAS No: 160254-22-8 Catalog No: AG01FD83 MDL No:
Product Description
Catalog Number:
AG01FD83
Chemical Name:
[1-(4-Methylphenyl)ethyl](octyl)amine
CAS Number:
160254-22-8
Molecular Formula:
C17H29N
Molecular Weight:
247.4189
IUPAC Name:
N-[1-(4-methylphenyl)ethyl]octan-1-amine
InChI:
InChI=1S/C17H29N/c1-4-5-6-7-8-9-14-18-16(3)17-12-10-15(2)11-13-17/h10-13,16,18H,4-9,14H2,1-3H3
InChI Key:
ABGMVYNODOXUIR-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(c1ccc(cc1)C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.23g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.426g/mol
Monoisotopic Mass:
247.23g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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