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124-23-2 | 1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate (1:1)
CAS No: 124-23-2 Catalog No: AG000LDD MDL No:
Product Description
Catalog Number:
AG000LDD
Chemical Name:
1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate (1:1)
CAS Number:
124-23-2
Molecular Formula:
C37H77NO2
Molecular Weight:
568.0128
IUPAC Name:
hexadecyl(trimethyl)azanium;octadecanoate
InChI:
InChI=1S/C19H42N.C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-19H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1
InChI Key:
DXQWPBNWAKTXPF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCCCC(=O)[O-]
EC Number:
204-691-1
UNII:
4P1PNM96KR
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.595g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.028g/mol
Monoisotopic Mass:
567.595g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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