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124900-36-3 | 1-Dodecanaminium, N,N,N-trimethyl-, phosphate (1:1)
CAS No: 124900-36-3 Catalog No: AG000MV2 MDL No:
Product Description
Catalog Number:
AG000MV2
Chemical Name:
1-Dodecanaminium, N,N,N-trimethyl-, phosphate (1:1)
CAS Number:
124900-36-3
Molecular Formula:
C15H36NO4P
Molecular Weight:
325.4244
IUPAC Name:
dihydrogen phosphate;dodecyl(trimethyl)azanium
InChI:
InChI=1S/C15H34N.H3O4P/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;(H3,1,2,3,4)/q+1;/p-1
InChI Key:
YCFRSSXXVSLWSM-UHFFFAOYSA-M
SMILES:
[O-]P(=O)(O)O.CCCCCCCCCCCC[N+](C)(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.238g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.43g/mol
Monoisotopic Mass:
325.238g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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