[2-(azetidin-3-yloxy)ethyl]diethylamine dihydrochloride

• ChemBase ID: 236188
• Molecular Formular: C9H22Cl2N2O
• Molecular Mass: 245.18978
• Monoisotopic Mass: 244.11091869
• SMILES: N1CC(OCCN(CC)CC)C1.Cl.Cl
• Canonical SMILES: CCN(CCOC1CNC1)CC.Cl.Cl
• InChI: InChI=1S/C9H20N2O.2ClH/c1-3-11(4-2)5-6-12-9-7-10-8-9;;/h9-10H,3-8H2,1-2H3;2*1H
• InChIKey: SSSGOOOGXVLDRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(azetidin-3-yloxy)ethyl]diethylamine dihydrochloride
• IUPAC Traditional name: [2-(azetidin-3-yloxy)ethyl]diethylamine dihydrochloride
• Synonyms: [2-(azetidin-3-yloxy)ethyl]diethylamine dihydrochloride

Database IDs

• MDL Number: MFCD22196533
• PubChem SID: 164292098
• PubChem CID: 71755654

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.933867
• LogD (pH = 7.4): -3.0063066
• Log P: 0.38064858
• Molar Refractivity: 50.9544 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.429

Product Information

• Purity: 95%