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116235-71-3 | Benzenemethanaminium, N-(4-methoxyphenyl)-N,N-dimethyl-, chloride (1:1)
CAS No: 116235-71-3 Catalog No: AG000BZS MDL No:
Product Description
Catalog Number:
AG000BZS
Chemical Name:
Benzenemethanaminium, N-(4-methoxyphenyl)-N,N-dimethyl-, chloride (1:1)
CAS Number:
116235-71-3
Molecular Formula:
C16H20ClNO
Molecular Weight:
277.7891
IUPAC Name:
benzyl-(4-methoxyphenyl)-dimethylazanium;chloride
InChI:
InChI=1S/C16H20NO.ClH/c1-17(2,13-14-7-5-4-6-8-14)15-9-11-16(18-3)12-10-15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1
InChI Key:
CXTIEIXRTYYMBY-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)[N+](Cc1ccccc1)(C)C.[Cl-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.792g/mol
Monoisotopic Mass:
277.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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