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114458-14-9 | Benzenemethanaminium, N,N,N-tributyl-4-methyl-, chloride (1:1)
CAS No: 114458-14-9 Catalog No: AG000EF8 MDL No:
Product Description
Catalog Number:
AG000EF8
Chemical Name:
Benzenemethanaminium, N,N,N-tributyl-4-methyl-, chloride (1:1)
CAS Number:
114458-14-9
Molecular Formula:
C20H36ClN
Molecular Weight:
325.9595
IUPAC Name:
tributyl-[(4-methylphenyl)methyl]azanium;chloride
InChI:
InChI=1S/C20H36N.ClH/c1-5-8-15-21(16-9-6-2,17-10-7-3)18-20-13-11-19(4)12-14-20;/h11-14H,5-10,15-18H2,1-4H3;1H/q+1;/p-1
InChI Key:
TVLHUELDZMHRPE-UHFFFAOYSA-M
SMILES:
CCCC[N+](Cc1ccc(cc1)C)(CCCC)CCCC.[Cl-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.254g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.965g/mol
Monoisotopic Mass:
325.254g/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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