2-methylazetidine

• ChemBase ID: 263305
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: N1CCC1C
• Canonical SMILES: CC1CCN1
• InChI: InChI=1S/C4H9N/c1-4-2-3-5-4/h4-5H,2-3H2,1H3
• InChIKey: DLBWPRNUXWYLRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06217629
• PubChem SID: 164319215
• PubChem CID: 533460

CALCULATED PROPERTIES

• 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
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.336

Product Information

• Purity: 95%