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145058-80-6 | 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, nitrate (1:1)
CAS No: 145058-80-6 Catalog No: AG001KIY MDL No:
Product Description
Catalog Number:
AG001KIY
Chemical Name:
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, nitrate (1:1)
CAS Number:
145058-80-6
Molecular Formula:
C38H80N2O3
Molecular Weight:
613.0534
IUPAC Name:
dimethyl(dioctadecyl)azanium;nitrate
InChI:
InChI=1S/C38H80N.NO3/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;2-1(3)4/h5-38H2,1-4H3;/q+1;-1
InChI Key:
NQFNJHBXAYBSPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.617g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
613.069g/mol
Monoisotopic Mass:
612.617g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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