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19277-89-5 | 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxotetradecyl)amino]-, methyl sulfate (1:1)
CAS No: 19277-89-5 Catalog No: AG002GB9 MDL No:
Product Description
Catalog Number:
AG002GB9
Chemical Name:
1-Propanaminium, N,N,N-trimethyl-3-[(1-oxotetradecyl)amino]-, methyl sulfate (1:1)
CAS Number:
19277-89-5
Molecular Formula:
C21H46N2O5S
Molecular Weight:
438.6653
IUPAC Name:
methyl sulfate;trimethyl-[3-(tetradecanoylamino)propyl]azanium
InChI:
InChI=1S/C20H42N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-17-20(23)21-18-16-19-22(2,3)4;1-5-6(2,3)4/h5-19H2,1-4H3;1H3,(H,2,3,4)
InChI Key:
PNNWLPFJQOPLMI-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)[O-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.313g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.668g/mol
Monoisotopic Mass:
438.313g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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