3-(2-methylpropoxy)azetidine hydrochloride

• ChemBase ID: 285967
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: N1CC(OCC(C)C)C1.Cl
• Canonical SMILES: CC(COC1CNC1)C.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-6(2)5-9-7-3-8-4-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: VYVVLPMWPWLLKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropoxy)azetidine hydrochloride
• IUPAC Traditional name: 3-(2-methylpropoxy)azetidine hydrochloride
• Synonyms: 3-(2-methylpropoxy)azetidine hydrochloride

Database IDs

• MDL Number: MFCD21602676
• PubChem SID: 180671498
• PubChem CID: 67154547

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0626144
• LogD (pH = 7.4): -0.49027872
• Log P: 0.8926913
• Molar Refractivity: 37.1823 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 1.414

Product Information

• Purity: 95%