[(4-methoxyphenyl)methyl](methyl)amine

• ChemBase ID: 66353
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: N(Cc1ccc(cc1)OC)C
• Canonical SMILES: CNCc1ccc(cc1)OC
• InChI: InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
• InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl](methyl)amine
• Synonyms: N-(4-methoxybenzyl)-N-methylamine; 4-Methoxy-N-methylbenzylamine; N-(4-Methoxybenzyl)-N-methylamine; 4-[(Methylamino)methyl]anisole; (4-Methoxy-benzyl)-methyl-amine

Database IDs

• CAS Number: 702-24-9
• MDL Number: MFCD04115407
• PubChem SID: 162032091
• PubChem CID: 485407

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8112401
• LogD (pH = 7.4): -0.7874209
• Log P: 1.3739234
• Molar Refractivity: 45.7692 cm^3
• Polarizability: 18.066713 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88-90°C/1mm
• Hydrophobicity(logP): 1.429

Safety Information

• Storage Warning: Corrosive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%