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102116-33-6 | Benzenepropanamine, N-butyl-N-phenyl-
CAS No: 102116-33-6 Catalog No: AG0006NX MDL No:
Product Description
Catalog Number:
AG0006NX
Chemical Name:
Benzenepropanamine, N-butyl-N-phenyl-
CAS Number:
102116-33-6
Molecular Formula:
C19H25N
Molecular Weight:
267.4085
IUPAC Name:
N-butyl-N-(3-phenylpropyl)aniline
InChI:
InChI=1S/C19H25N/c1-2-3-16-20(19-14-8-5-9-15-19)17-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15H,2-3,10,13,16-17H2,1H3
InChI Key:
GLJVKKYUVODIIP-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccccc1)CCCc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.416g/mol
Monoisotopic Mass:
267.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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