cyclopropanecarboxamide

• ChemBase ID: 70396
• Molecular Formular: C4H7NO
• Molecular Mass: 85.10448
• Monoisotopic Mass: 85.05276385
• SMILES: C1(CC1)C(=O)N
• Canonical SMILES: NC(=O)C1CC1
• InChI: InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
• InChIKey: AIMMVWOEOZMVMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropanecarboxamide
• IUPAC Traditional name: cyclopropanecarboxamide
• Synonyms: CYCLOPROPYLCARBOXAMIDE; Cyclopropanecarboxamide; Cyclopropanecarboxamide; (Carbamoyl)cyclopropane; Cyclopropanecarboxamide 98%; 环丙酰胺

Database IDs

• CAS Number: 6228-73-5
• EC Number: 228-332-3
• MDL Number: MFCD00013729
• Beilstein Number: 1924346
• PubChem SID: 162036115
• PubChem CID: 80376

CALCULATED PROPERTIES

• Acid pKa: 16.460144
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.25049213
• LogD (pH = 7.4): -0.2504921
• Log P: -0.2504921
• Molar Refractivity: 21.8651 cm^3
• Polarizability: 8.598534 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-122°C; 122-126°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false; 是

Product Information

• Purity: 95+%; 98%

DETAILS

MP Biomedicals - 05213064

MP Biomedicals Rare Chemical collection