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113894-24-9 | 1-Hexadecanaminium, N,N,N-trimethyl-, methanesulfonate (1:1)
CAS No: 113894-24-9 Catalog No: AG000A04 MDL No:
Product Description
Catalog Number:
AG000A04
Chemical Name:
1-Hexadecanaminium, N,N,N-trimethyl-, methanesulfonate (1:1)
CAS Number:
113894-24-9
Molecular Formula:
C20H45NO3S
Molecular Weight:
379.6412
IUPAC Name:
hexadecyl(trimethyl)azanium;methanesulfonate
InChI:
InChI=1S/C19H42N.CH4O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
OSJQADLXTFUATC-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.CCCCCCCCCCCCCCCC[N+](C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.312g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.644g/mol
Monoisotopic Mass:
379.312g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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