2,2-dimethylaziridine

• ChemBase ID: 71408
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: C1NC1(C)C
• Canonical SMILES: CC1(C)NC1
• InChI: InChI=1S/C4H9N/c1-4(2)3-5-4/h5H,3H2,1-2H3
• InChIKey: FGRJGEWVJCCOJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylaziridine
• IUPAC Traditional name: 2,2-dimethylaziridine
• Synonyms: 2,2-Dimethylaziridine

Database IDs

• CAS Number: 2658-24-4
• MDL Number: MFCD00040452
• PubChem SID: 162036998
• PubChem CID: 227244

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.006039
• LogD (pH = 7.4): -0.28183353
• Log P: 0.33274826
• Molar Refractivity: 21.7814 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 21.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%