2-tert-butylazetidine hydrochloride

• ChemBase ID: 247420
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1C(C(C)(C)C)CC1.Cl
• Canonical SMILES: CC(C1CCN1)(C)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-7(2,3)6-4-5-8-6;/h6,8H,4-5H2,1-3H3;1H
• InChIKey: DWMSPHILMWOUMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylazetidine hydrochloride
• IUPAC Traditional name: 2-tert-butylazetidine hydrochloride
• Synonyms: 2-tert-butylazetidine hydrochloride

Database IDs

• PubChem SID: 164303330
• PubChem CID: 71758220

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8612378
• LogD (pH = 7.4): -1.665953
• Log P: 1.3776274
• Molar Refractivity: 35.4023 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.663

Product Information

• Purity: 95%