3-methylazetidine hydrochloride

• ChemBase ID: 64030
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: Cl.C1C(C)CN1
• Canonical SMILES: CC1CNC1.Cl
• InChI: InChI=1S/C4H9N.ClH/c1-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
• InChIKey: MOKDGIBBFJAJOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylazetidine hydrochloride
• IUPAC Traditional name: 3-methylazetidine hydrochloride
• Synonyms: 3-Methylazetidine hydrochloride

Database IDs

• CAS Number: 935669-28-6
• MDL Number: MFCD09743448
• PubChem SID: 162029769
• PubChem CID: 25159188

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0625126
• LogD (pH = 7.4): -2.799793
• Log P: 0.17487988
• Molar Refractivity: 22.0062 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%