N,N-Dimethyl-1-[4-(4-Propoxyphenyl)Phenyl]Methanamine Oxide Dihydrate
[CAS# 162439-90-9]

Identification

• Name: N,N-Dimethyl-1-[4-(4-Propoxyphenyl)Phenyl]Methanamine Oxide Dihydrate
• Synonyms: N,N-Dimethyl-4'-Propoxy-(1,1'-Biphenyl)-4-Methanamine N-Oxide, Dihydrate; Pbipao; (1,1'-Biphenyl)-4-Methanamine, N,N-Dimethyl-4'-Propoxy-, N-Oxide, Dihydrate
• Molecular Formula: C₁₈H₂₇NO₄
• Molecular Weight: 321.42
• CAS Registry Number: 162439-90-9
• SMILES: C2=C(C1=CC=C(OCCC)C=C1)C=CC(=C2)C[N+]([O-])(C)C.O.O
• InChI: 1S/C18H23NO2.2H2O/c1-4-13-21-18-11-9-17(10-12-18)16-7-5-15(6-8-16)14-19(2,3)20;;/h5-12H,4,13-14H2,1-3H3;2*1H2
• InChIKey: XVGQMTCEADOBAD-UHFFFAOYSA-N