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87964-24-7 | 1-Hexanaminium, N,N,N-tributyl-, sulfate (1:1)
CAS No: 87964-24-7 Catalog No: AG004D43 MDL No:
Product Description
Catalog Number:
AG004D43
Chemical Name:
1-Hexanaminium, N,N,N-tributyl-, sulfate (1:1)
CAS Number:
87964-24-7
Molecular Formula:
C18H41NO4S
Molecular Weight:
367.5874
IUPAC Name:
hydrogen sulfate;tributyl(hexyl)azanium
InChI:
InChI=1S/C18H40N.H2O4S/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;1-5(2,3)4/h5-18H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
SUNUVEYYMSNRKR-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CCCCCC[N+](CCCC)(CCCC)CCCC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.276g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.589g/mol
Monoisotopic Mass:
367.276g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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