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114687-11-5 | Benzenamine, 4-chloro-N,N-dihexyl-
CAS No: 114687-11-5 Catalog No: AG000F1M MDL No:
Product Description
Catalog Number:
AG000F1M
Chemical Name:
Benzenamine, 4-chloro-N,N-dihexyl-
CAS Number:
114687-11-5
Molecular Formula:
C18H30ClN
Molecular Weight:
295.8905
IUPAC Name:
4-chloro-N,N-dihexylaniline
InChI:
InChI=1S/C18H30ClN/c1-3-5-7-9-15-20(16-10-8-6-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChI Key:
BTABCGIDSNNIOK-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1ccc(cc1)Cl)CCCCCC
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.207g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.895g/mol
Monoisotopic Mass:
295.207g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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