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121951-51-7 | 1-Hexanaminium, N,N,N-triethyl-, phosphate (1:1)
CAS No: 121951-51-7 Catalog No: AG0016GQ MDL No:
Product Description
Catalog Number:
AG0016GQ
Chemical Name:
1-Hexanaminium, N,N,N-triethyl-, phosphate (1:1)
CAS Number:
121951-51-7
Molecular Formula:
C12H30NO4P
Molecular Weight:
283.3447
IUPAC Name:
dihydrogen phosphate;triethyl(hexyl)azanium
InChI:
InChI=1S/C12H28N.H3O4P/c1-5-9-10-11-12-13(6-2,7-3)8-4;1-5(2,3)4/h5-12H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
InChI Key:
ZTQVOWOEVMUTEP-UHFFFAOYSA-M
SMILES:
[O-]P(=O)(O)O.CCCCCC[N+](CC)(CC)CC
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.191g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.191g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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