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88815-21-8 | Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, nitrite
CAS No: 88815-21-8 Catalog No: AG004C4R MDL No:
Product Description
Catalog Number:
AG004C4R
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, nitrite
CAS Number:
88815-21-8
Molecular Formula:
C23H42N2O2
Molecular Weight:
378.5918
IUPAC Name:
benzyl-dimethyl-tetradecylazanium;nitrite
InChI:
InChI=1S/C23H42N.HNO2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;2-1-3/h15-17,19-20H,4-14,18,21-22H2,1-3H3;(H,2,3)/q+1;/p-1
InChI Key:
RUOUGCLXTMXWGF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.[O-]N=O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.325g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.601g/mol
Monoisotopic Mass:
378.325g/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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