benzyldiethylamine

• ChemBase ID: 287404
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: CCN(Cc1ccccc1)CC
• Canonical SMILES: CCN(Cc1ccccc1)CC
• InChI: InChI=1S/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
• InChIKey: ZWRDBWDXRLPESY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyldiethylamine
• IUPAC Traditional name: benzyldiethylamine
• Synonyms: N-Benzyl-N-ethylethanamine

Database IDs

• CAS Number: 772-54-3
• MDL Number: MFCD00026731
• PubChem SID: 180672935
• PubChem CID: 61211

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.76281494
• LogD (pH = 7.4): 0.5036019
• Log P: 2.6282585
• Molar Refractivity: 54.0979 cm^3
• Polarizability: 21.137844 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%