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88815-20-7 | Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, nitrate
CAS No: 88815-20-7 Catalog No: AG004C4S MDL No:
Product Description
Catalog Number:
AG004C4S
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, nitrate
CAS Number:
88815-20-7
Molecular Formula:
C23H42N2O3
Molecular Weight:
394.5912
IUPAC Name:
benzyl-dimethyl-tetradecylazanium;nitrate
InChI:
InChI=1S/C23H42N.NO3/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)4/h15-17,19-20H,4-14,18,21-22H2,1-3H3;/q+1;-1
InChI Key:
AJFYQSNSVACWTA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.32g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.6g/mol
Monoisotopic Mass:
394.32g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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