(2S)-2-methylaziridine

• ChemBase ID: 800315
• Molecular Formular: C3H7N
• Molecular Mass: 57.09438
• Monoisotopic Mass: 57.05784923
• SMILES: C1[C@@H](N1)C
• Canonical SMILES: C[C@H]1CN1
• InChI: InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3/t3-/m0/s1
• InChIKey: OZDGMOYKSFPLSE-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methylaziridine
• IUPAC Traditional name: (2S)-2-methylaziridine
• Synonyms: (S)-2-Methyl-aziridine

Database IDs

• CAS Number: 52340-20-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3308036
• LogD (pH = 7.4): -0.6015452
• Log P: 0.05217161
• Molar Refractivity: 17.1432 cm^3
• Polarizability: 7.059403 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%