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29710-99-4 | 1-Dodecanaminium, N,N-didodecyl-N-methyl-, thiocyanate (1:1)
CAS No: 29710-99-4 Catalog No: AG002Z70 MDL No:
Product Description
Catalog Number:
AG002Z70
Chemical Name:
1-Dodecanaminium, N,N-didodecyl-N-methyl-, thiocyanate (1:1)
CAS Number:
29710-99-4
Molecular Formula:
C38H78N2S
Molecular Weight:
595.1043
IUPAC Name:
tridodecyl(methyl)azanium;thiocyanate
InChI:
InChI=1S/C37H78N.CHNS/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;2-1-3/h5-37H2,1-4H3;3H/q+1;/p-1
InChI Key:
QLKBWGBKASICHF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C.[S-]C#N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.589g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
595.116g/mol
Monoisotopic Mass:
594.589g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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