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157363-54-7 | Benzenamine, N-butyl-N-(1-methylhexyl)-
CAS No: 157363-54-7 Catalog No: AG001PF8 MDL No:
Product Description
Catalog Number:
AG001PF8
Chemical Name:
Benzenamine, N-butyl-N-(1-methylhexyl)-
CAS Number:
157363-54-7
Molecular Formula:
C17H29N
Molecular Weight:
247.4189
IUPAC Name:
N-butyl-N-heptan-2-ylaniline
InChI:
InChI=1S/C17H29N/c1-4-6-9-12-16(3)18(15-7-5-2)17-13-10-8-11-14-17/h8,10-11,13-14,16H,4-7,9,12,15H2,1-3H3
InChI Key:
PHVYYKBZCNGPEY-UHFFFAOYSA-N
SMILES:
CCCCCC(N(c1ccccc1)CCCC)C
EC Number:
605-100-3
Properties
Complexity:
184
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:
0
Isotope Atom Count:
0
Molecular Weight:
247.426g/mol
Monoisotopic Mass:
247.23g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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