N,N-dimethyl-3,3-diphenyloxolan-2-iminium bromide

• ChemBase ID: 12040
• Molecular Formular: C18H20BrNO
• Molecular Mass: 346.2615
• Monoisotopic Mass: 345.07282627
• SMILES: C1C(C(=[N+](C)C)OC1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: C[N+](=C1OCCC1(c1ccccc1)c1ccccc1)C.[Br-]
• InChI: InChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
• InChIKey: QJPXLCQSAFQCBD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3,3-diphenyloxolan-2-iminium bromide
• IUPAC Traditional name: N,N-dimethyl-3,3-diphenyloxolan-2-iminium bromide
• Synonyms: (3,3-Diphenyldihydrofuran-2-ylidine)-dimethylammonium bromide

Database IDs

• CAS Number: 37743-18-3
• MDL Number: MFCD02093792
• PubChem SID: 160975347
• PubChem CID: 2723589

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.2029645
• LogD (pH = 7.4): 0.2029645
• Log P: 0.2029645
• Molar Refractivity: 103.4023 cm^3
• Polarizability: 31.988974 Å^3
• Polar Surface Area: 12.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181-182°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%