(1-methoxy-2-phenylethylidene)azanylium chloride

• ChemBase ID: 815799
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: C(=[N+])(Cc1ccccc1)OC.[Cl-]
• Canonical SMILES: COC(=[N+])Cc1ccccc1.[Cl-]
• InChI: InChI=1S/C9H10NO.ClH/c1-11-9(10)7-8-5-3-2-4-6-8;/h2-6H,7H2,1H3;1H/q+1;/p-1
• InChIKey: WUDAFIXPSKKRLJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxy-2-phenylethylidene)azanylium chloride
• IUPAC Traditional name: (1-methoxy-2-phenylethylidene)azanylium chloride
• Synonyms: 1-METHOXY-2-PHENYLETHANIMINIUM CHLORIDE

Database IDs

• CAS Number: 39496-45-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2208258
• LogD (pH = 7.4): 1.2208258
• Log P: 1.2208258
• Molar Refractivity: 42.4036 cm^3
• Polarizability: 16.985025 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%