3,3-dimethylazetidine hydrochloride

• ChemBase ID: 272312
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: N1CC(C1)(C)C.Cl
• Canonical SMILES: CC1(C)CNC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-5(2)3-6-4-5;/h6H,3-4H2,1-2H3;1H
• InChIKey: DVPXDZWZLKNLJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylazetidine hydrochloride
• IUPAC Traditional name: 3,3-dimethylazetidine hydrochloride
• Synonyms: 3,3-dimethylazetidine hydrochloride

Database IDs

• MDL Number: MFCD10565785
• PubChem SID: 164328222
• PubChem CID: 50988120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.566398
• LogD (pH = 7.4): -2.1685061
• Log P: 0.66723144
• Molar Refractivity: 26.3491 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 0.855

Product Information

• Purity: 95%