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89400-92-0 | 1-Pentanaminium, N,N,N-tripentyl-, cyanate
CAS No: 89400-92-0 Catalog No: AG003W98 MDL No:
Product Description
Catalog Number:
AG003W98
Chemical Name:
1-Pentanaminium, N,N,N-tripentyl-, cyanate
CAS Number:
89400-92-0
Molecular Formula:
C21H44N2O
Molecular Weight:
340.5869
IUPAC Name:
tetrapentylazanium;isocyanate
InChI:
InChI=1S/C20H44N.CNO/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;2-1-3/h5-20H2,1-4H3;/q+1;-1
InChI Key:
NPLMBCSXBZCIHU-UHFFFAOYSA-N
SMILES:
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[O-]C#N
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.345g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.596g/mol
Monoisotopic Mass:
340.345g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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