[2-(benzyloxy)ethyl](methyl)amine hydrochloride

• ChemBase ID: 237431
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: N(CCOCc1ccccc1)C.Cl
• Canonical SMILES: CNCCOCc1ccccc1.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-11-7-8-12-9-10-5-3-2-4-6-10;/h2-6,11H,7-9H2,1H3;1H
• InChIKey: VXRXNNADZPHTEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)ethyl](methyl)amine hydrochloride
• IUPAC Traditional name: [2-(benzyloxy)ethyl](methyl)amine hydrochloride
• Synonyms: [2-(benzyloxy)ethyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22052804
• PubChem SID: 164293341
• PubChem CID: 71755934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.710457
• LogD (pH = 7.4): -0.75647724
• Log P: 1.4846191
• Molar Refractivity: 50.3495 cm^3
• Polarizability: 19.928621 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): 1.511

Product Information

• Purity: 95%