2-methylazetidine hydrochloride

• ChemBase ID: 274751
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: N1CCC1C.Cl
• Canonical SMILES: CC1CCN1.Cl
• InChI: InChI=1S/C4H9N.ClH/c1-4-2-3-5-4;/h4-5H,2-3H2,1H3;1H
• InChIKey: WYQBCZUEZOFZFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylazetidine hydrochloride
• IUPAC Traditional name: 2-methylazetidine hydrochloride
• Synonyms: 2-methylazetidine hydrochloride

Database IDs

• MDL Number: MFCD18838966
• PubChem SID: 164330661
• PubChem CID: 21980061

CALCULATED PROPERTIES

• Polarizability: 8.905697 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.1261911
• LogD (pH = 7.4): -2.9047976
• Log P: 0.11213135
• Molar Refractivity: 22.0086 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.336

Product Information

• Purity: 95%