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138505-72-3 | Benzenaminium, N-hexadecyl-N,N-diphenyl-, chloride (1:1)
CAS No: 138505-72-3 Catalog No: AG0019B7 MDL No:
Product Description
Catalog Number:
AG0019B7
Chemical Name:
Benzenaminium, N-hexadecyl-N,N-diphenyl-, chloride (1:1)
CAS Number:
138505-72-3
Molecular Formula:
C34H48ClN
Molecular Weight:
506.2046
IUPAC Name:
hexadecyl(triphenyl)azanium;chloride
InChI:
InChI=1S/C34H48N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;/h15-23,25-30H,2-14,24,31H2,1H3;1H/q+1;/p-1
InChI Key:
XINMAWPSXBHPES-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.348g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.215g/mol
Monoisotopic Mass:
505.348g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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