benzyl(2,2-dimethoxyethyl)amine

• ChemBase ID: 259291
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: N(CC(OC)OC)Cc1ccccc1
• Canonical SMILES: COC(CNCc1ccccc1)OC
• InChI: InChI=1S/C11H17NO2/c1-13-11(14-2)9-12-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
• InChIKey: LODLUMZUJRFPLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(2,2-dimethoxyethyl)amine
• IUPAC Traditional name: benzyl(2,2-dimethoxyethyl)amine
• Synonyms: benzyl(2,2-dimethoxyethyl)amine

Database IDs

• MDL Number: MFCD00963826
• PubChem SID: 164315201
• PubChem CID: 276572

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9796384
• LogD (pH = 7.4): 0.7173848
• Log P: 1.7635217
• Molar Refractivity: 56.1306 cm^3
• Polarizability: 22.444887 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.074

Product Information

• Purity: 95%