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4746-32-1 | N-Hexylaniline
CAS No: 4746-32-1 Catalog No: AG003T29 MDL No:MFCD00462723
Product Description
Catalog Number:
AG003T29
Chemical Name:
N-Hexylaniline
CAS Number:
4746-32-1
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
MDL Number:
MFCD00462723
IUPAC Name:
N-hexylaniline
InChI:
InChI=1S/C12H19N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3
InChI Key:
OXHJCNSXYDSOFN-UHFFFAOYSA-N
SMILES:
CCCCCCNc1ccccc1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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