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147228-81-7 | Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, hydrate (1:1:2)
CAS No: 147228-81-7 Catalog No: AG001EQ6 MDL No:MFCD00149985
Product Description
Catalog Number:
AG001EQ6
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride, hydrate (1:1:2)
CAS Number:
147228-81-7
Molecular Formula:
C23H46ClNO2
Molecular Weight:
404.0698
MDL Number:
MFCD00149985
IUPAC Name:
benzyl-dimethyl-tetradecylazanium;chloride;dihydrate
InChI:
InChI=1S/C23H42N.ClH.2H2O/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;;;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H;2*1H2/q+1;;;/p-1
InChI Key:
YLPZVNXGKBIJBW-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.O.O.[Cl-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.322g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.076g/mol
Monoisotopic Mass:
403.322g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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