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13928-82-0 | Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1)
CAS No: 13928-82-0 Catalog No: AG001ANR MDL No:
Product Description
Catalog Number:
AG001ANR
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1)
CAS Number:
13928-82-0
Molecular Formula:
C17H22BrNO
Molecular Weight:
336.2667
IUPAC Name:
benzyl-dimethyl-(2-phenoxyethyl)azanium;bromide
InChI:
InChI=1S/C17H22NO.BrH/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:
SLNXOIOYIXQLTF-UHFFFAOYSA-M
SMILES:
C[N+](Cc1ccccc1)(CCOc1ccccc1)C.[Br-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.273g/mol
Monoisotopic Mass:
335.088g/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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