(2S)-2-benzylaziridine

• ChemBase ID: 293680
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: [C@@H]1(Cc2ccccc2)NC1
• Canonical SMILES: N1C[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C9H11N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9-10H,6-7H2/t9-/m0/s1
• InChIKey: LKQAJXTWYDNYHK-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-benzylaziridine
• IUPAC Traditional name: (2S)-2-benzylaziridine
• Synonyms: (S)-2-Benzylaziridine

Database IDs

• CAS Number: 73058-30-7
• MDL Number: MFCD06796591
• PubChem SID: 180679211
• PubChem CID: 11062438

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2984111
• LogD (pH = 7.4): 1.3387295
• Log P: 1.708498
• Molar Refractivity: 41.7622 cm^3
• Polarizability: 16.618118 Å^3
• Polar Surface Area: 21.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%