(3,3-diethoxypropyl)diethylamine

• ChemBase ID: 285598
• Molecular Formular: C11H25NO2
• Molecular Mass: 203.3217
• Monoisotopic Mass: 203.18852905
• SMILES: C(C(OCC)OCC)CN(CC)CC
• Canonical SMILES: CCOC(CCN(CC)CC)OCC
• InChI: InChI=1S/C11H25NO2/c1-5-12(6-2)10-9-11(13-7-3)14-8-4/h11H,5-10H2,1-4H3
• InChIKey: IBQQRWHQSLKUHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-diethoxypropyl)diethylamine
• IUPAC Traditional name: (3,3-diethoxypropyl)diethylamine
• Synonyms: (3,3-diethoxypropyl)diethylamine

Database IDs

• MDL Number: MFCD18848632
• PubChem SID: 180671129
• PubChem CID: 15749029

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3012009
• LogD (pH = 7.4): -0.14854507
• Log P: 2.1196315
• Molar Refractivity: 60.2589 cm^3
• Polarizability: 23.900274 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.315

Product Information

• Purity: 95%