1-(aziridin-1-yl)ethan-1-one

• ChemBase ID: 159268
• Molecular Formular: C4H7NO
• Molecular Mass: 85.10448
• Monoisotopic Mass: 85.05276385
• SMILES: C1N(C1)C(=O)C
• Canonical SMILES: CC(=O)N1CC1
• InChI: InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3
• InChIKey: OTIXUSNHAKOJBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aziridin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(aziridin-1-yl)ethanone
• Synonyms: 1-(1-Aziridinyl)ethanone; 1-Acetylaziridine; Acetylethylenimide; N-Acetylaziridine; N-Acetylethylenimine, contains 30% benzene

Database IDs

• CAS Number: 460-07-1
• PubChem SID: 162253403
• PubChem CID: 9994

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.7544612
• LogD (pH = 7.4): -0.75446117
• Log P: -0.75446117
• Molar Refractivity: 22.2903 cm^3
• Polarizability: 8.598534 Å^3
• Polar Surface Area: 20.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Clear Colourless Liquid
• Boiling Point: 44-45°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - A174000

AEI is suitable for the inactivation of foot-and-mouth disease virus (FMDV) and poliovirus for the preparation of virus vaccines. AEI inactivation of FMDV and poliovirus is demonstrated without impairing the biological properties of several proteins und

REFERENCES

• Amor S., et al.: J. Med. Virology, 19(4)
• 367 (4)