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144002-85-7 | 1-Hexanaminium, N-hexyl-N,N-dimethyl-, acetate (1:1)
CAS No: 144002-85-7 Catalog No: AG001IRP MDL No:
Product Description
Catalog Number:
AG001IRP
Chemical Name:
1-Hexanaminium, N-hexyl-N,N-dimethyl-, acetate (1:1)
CAS Number:
144002-85-7
Molecular Formula:
C16H35NO2
Molecular Weight:
273.4546
IUPAC Name:
dihexyl(dimethyl)azanium;acetate
InChI:
InChI=1S/C14H32N.C2H4O2/c1-5-7-9-11-13-15(3,4)14-12-10-8-6-2;1-2(3)4/h5-14H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChI Key:
CFHXJHPHQBHBRF-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C.CCCCCC[N+](CCCCCC)(C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.267g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.461g/mol
Monoisotopic Mass:
273.267g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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