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89781-51-1 | Benzenemethanaminium, N,N,N-tributyl-4-(trifluoromethyl)-, chloride
CAS No: 89781-51-1 Catalog No: AG003YNQ MDL No:
Product Description
Catalog Number:
AG003YNQ
Chemical Name:
Benzenemethanaminium, N,N,N-tributyl-4-(trifluoromethyl)-, chloride
CAS Number:
89781-51-1
Molecular Formula:
C20H33ClF3N
Molecular Weight:
379.9309
IUPAC Name:
tributyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;chloride
InChI:
InChI=1S/C20H33F3N.ClH/c1-4-7-14-24(15-8-5-2,16-9-6-3)17-18-10-12-19(13-11-18)20(21,22)23;/h10-13H,4-9,14-17H2,1-3H3;1H/q+1;/p-1
InChI Key:
WKNJVTHUPXMJPZ-UHFFFAOYSA-M
SMILES:
CCCC[N+](Cc1ccc(cc1)C(F)(F)F)(CCCC)CCCC.[Cl-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.936g/mol
Monoisotopic Mass:
379.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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