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13928-81-9 | Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, chloride (1:1)
CAS No: 13928-81-9 Catalog No: AG001ANS MDL No:
Product Description
Catalog Number:
AG001ANS
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, chloride (1:1)
CAS Number:
13928-81-9
Molecular Formula:
C17H22ClNO
Molecular Weight:
291.8157
IUPAC Name:
benzyl-dimethyl-(2-phenoxyethyl)azanium;chloride
InChI:
InChI=1S/C17H22NO.ClH/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;/h3-12H,13-15H2,1-2H3;1H/q+1;/p-1
InChI Key:
RMYXKLARNIPDRT-UHFFFAOYSA-M
SMILES:
C[N+](Cc1ccccc1)(CCOc1ccccc1)C.[Cl-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.139g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.819g/mol
Monoisotopic Mass:
291.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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