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823817-62-5 | Benzenemethanamine, 4-methoxy-N-(3-phenylbutylidene)-, N-oxide
CAS No: 823817-62-5 Catalog No: AG005C2U MDL No:
Product Description
Catalog Number:
AG005C2U
Chemical Name:
Benzenemethanamine, 4-methoxy-N-(3-phenylbutylidene)-, N-oxide
CAS Number:
823817-62-5
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-3-phenylbutan-1-imine oxide
InChI:
InChI=1S/C18H21NO2/c1-15(17-6-4-3-5-7-17)12-13-19(20)14-16-8-10-18(21-2)11-9-16/h3-11,13,15H,12,14H2,1-2H3
InChI Key:
NSOPJCNVPOWHTM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C[N+](=CCC(c1ccccc1)C)[O-]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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