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101904-93-2

101904-93-2 | 1-Dodecanaminium, N,N,N-trimethyl-, methanesulfonate (1:1)

CAS No: 101904-93-2 Catalog No: AG0005WQ MDL No:

Product Description

Catalog Number:
AG0005WQ
Chemical Name:
1-Dodecanaminium, N,N,N-trimethyl-, methanesulfonate (1:1)
CAS Number:
101904-93-2
Molecular Formula:
C16H37NO3S
Molecular Weight:
323.5349
IUPAC Name:
dodecyl(trimethyl)azanium;methanesulfonate
InChI:
InChI=1S/C15H34N.CH4O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-5(2,3)4/h5-15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
MIZBCDQFHMSKPN-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.CCCCCCCCCCCC[N+](C)(C)C

Properties

Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.249g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.536g/mol
Monoisotopic Mass:
323.249g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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