N,N,2-trimethylaziridine-1-carboxamide

• ChemBase ID: 288230
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: O=C(N1CC1C)N(C)C
• Canonical SMILES: CC1CN1C(=O)N(C)C
• InChI: InChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3
• InChIKey: VGGNVBNNVSIGKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethylaziridine-1-carboxamide
• IUPAC Traditional name: N,N,2-trimethylaziridine-1-carboxamide
• Synonyms: N,N,2-Trimethylaziridine-1-carboxamide

Database IDs

• CAS Number: 137514-20-6
• PubChem SID: 180673761
• PubChem CID: 11007919

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.22407953
• LogD (pH = 7.4): -0.22407952
• Log P: -0.22407952
• Molar Refractivity: 35.1792 cm^3
• Polarizability: 13.415068 Å^3
• Polar Surface Area: 23.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%