2,2,4-trimethylazetidine hydrochloride

• ChemBase ID: 261506
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: N1C(CC1C)(C)C.Cl
• Canonical SMILES: CC1CC(N1)(C)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5-4-6(2,3)7-5;/h5,7H,4H2,1-3H3;1H
• InChIKey: ZQMUFAAJPIJMIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4-trimethylazetidine hydrochloride
• IUPAC Traditional name: 2,2,4-trimethylazetidine hydrochloride
• Synonyms: 2,2,4-trimethylazetidine hydrochloride

Database IDs

• MDL Number: MFCD12912908
• PubChem SID: 164317416
• PubChem CID: 45791818

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4299457
• LogD (pH = 7.4): -2.253103
• Log P: 0.809283
• Molar Refractivity: 31.0656 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.374

Product Information

• Purity: 95%