(E)-[(2-methoxyphenyl)methylidene](methyl)amine

• ChemBase ID: 253620
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c1(c(OC)cccc1)/C=N/C
• Canonical SMILES: C/N=C/c1ccccc1OC
• InChI: InChI=1S/C9H11NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3-7H,1-2H3/b10-7+
• InChIKey: BKWMHLUBGZTQLW-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-[(2-methoxyphenyl)methylidene](methyl)amine
• IUPAC Traditional name: (E)-[(2-methoxyphenyl)methylidene](methyl)amine
• Synonyms: N-[(2-methoxyphenyl)methylene]-N-methylamine

Database IDs

• CAS Number: 1125-90-2
• MDL Number: MFCD09373420
• PubChem SID: 164309530
• PubChem CID: 136904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.14434731
• LogD (pH = 7.4): 1.5824752
• Log P: 1.7644144
• Molar Refractivity: 46.059 cm^3
• Polarizability: 17.252066 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.985

Product Information

• Purity: 95%