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13308-45-7 | 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, acetate (1:1)
CAS No: 13308-45-7 Catalog No: AG00148A MDL No:
Product Description
Catalog Number:
AG00148A
Chemical Name:
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, acetate (1:1)
CAS Number:
13308-45-7
Molecular Formula:
C40H83NO2
Molecular Weight:
610.0925
IUPAC Name:
dimethyl(dioctadecyl)azanium;acetate
InChI:
InChI=1S/C38H80N.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h5-38H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChI Key:
LZTCQASULATCDM-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C.CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
609.642g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
610.109g/mol
Monoisotopic Mass:
609.642g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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