ethyl 2-(dibenzylamino)acetate

• ChemBase ID: 288265
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: O=C(OCC)CN(Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: CCOC(=O)CN(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
• InChIKey: AFMDCFOWHWNQBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(dibenzylamino)acetate
• IUPAC Traditional name: ethyl 2-(dibenzylamino)acetate
• Synonyms: Ethyl 2-(dibenzylamino)acetate

Database IDs

• CAS Number: 77385-90-1
• PubChem SID: 180673796
• PubChem CID: 3553452

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7382698
• LogD (pH = 7.4): 3.5850046
• Log P: 3.619801
• Molar Refractivity: 84.8156 cm^3
• Polarizability: 33.283363 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%