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3084-33-1 | 1-Hexadecanaminium, N,N,N-trimethyl-, nitrite (1:1)
CAS No: 3084-33-1 Catalog No: AG0031HI MDL No:
Product Description
Catalog Number:
AG0031HI
Chemical Name:
1-Hexadecanaminium, N,N,N-trimethyl-, nitrite (1:1)
CAS Number:
3084-33-1
Molecular Formula:
C19H42N2O2
Molecular Weight:
330.5490
IUPAC Name:
hexadecyl(trimethyl)azanium;nitrite
InChI:
InChI=1S/C19H42N.HNO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;2-1-3/h5-19H2,1-4H3;(H,2,3)/q+1;/p-1
InChI Key:
KIPYNWHZUMMNGC-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]N=O
EC Number:
221-390-0
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.325g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.557g/mol
Monoisotopic Mass:
330.325g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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