[2-(diethylamino)ethyl](2-methoxyethyl)amine

• ChemBase ID: 270864
• Molecular Formular: C9H22N2O
• Molecular Mass: 174.28378
• Monoisotopic Mass: 174.17321333
• SMILES: N(CCNCCOC)(CC)CC
• Canonical SMILES: COCCNCCN(CC)CC
• InChI: InChI=1S/C9H22N2O/c1-4-11(5-2)8-6-10-7-9-12-3/h10H,4-9H2,1-3H3
• InChIKey: VHNKYJGEDZBFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl](2-methoxyethyl)amine
• IUPAC Traditional name: [2-(diethylamino)ethyl](2-methoxyethyl)amine
• Synonyms: [2-(diethylamino)ethyl](2-methoxyethyl)amine

Database IDs

• MDL Number: MFCD11152787
• PubChem SID: 164326774
• PubChem CID: 23116495

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0411696
• LogD (pH = 7.4): -1.6599267
• Log P: 0.49240646
• Molar Refractivity: 53.2532 cm^3
• Polarizability: 21.058195 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.329

Product Information

• Purity: 95%