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137758-19-1 | 1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-, methanesulfonate (9CI)
CAS No: 137758-19-1 Catalog No: AG0013SN MDL No:
Product Description
Catalog Number:
AG0013SN
Chemical Name:
1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-, methanesulfonate (9CI)
CAS Number:
137758-19-1
Molecular Formula:
C21H47NO3S
Molecular Weight:
393.6678
IUPAC Name:
methanesulfonate;tetrakis(3-methylbutyl)azanium
InChI:
InChI=1S/C20H44N.CH4O3S/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;1-5(2,3)4/h17-20H,9-16H2,1-8H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
KEHBSGKMKRMYJI-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.CC(CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.328g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.671g/mol
Monoisotopic Mass:
393.328g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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