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15785-72-5 | Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, iodide (1:1)
CAS No: 15785-72-5 Catalog No: AG001PS9 MDL No:
Product Description
Catalog Number:
AG001PS9
Chemical Name:
Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, iodide (1:1)
CAS Number:
15785-72-5
Molecular Formula:
C17H22INO
Molecular Weight:
383.2672
IUPAC Name:
benzyl-dimethyl-(2-phenoxyethyl)azanium;iodide
InChI:
InChI=1S/C17H22NO.HI/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:
DIOXOSVQQBOCNQ-UHFFFAOYSA-M
SMILES:
C[N+](Cc1ccccc1)(CCOc1ccccc1)C.[I-]
NSC Number:
131401
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.273g/mol
Monoisotopic Mass:
383.075g/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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