1-methylcyclopropane-1-carbohydrazide

• ChemBase ID: 797843
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: C1(CC1)(C(=O)NN)C
• Canonical SMILES: NNC(=O)C1(C)CC1
• InChI: InChI=1S/C5H10N2O/c1-5(2-3-5)4(8)7-6/h2-3,6H2,1H3,(H,7,8)
• InChIKey: RJDIBXFCPXYMQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclopropane-1-carbohydrazide
• IUPAC Traditional name: 1-methylcyclopropane-1-carbohydrazide
• Synonyms: 1-Methylcyclopropanecarbohydrazide

Database IDs

• CAS Number: 72790-89-7

CALCULATED PROPERTIES

• Acid pKa: 13.051205
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.006566275
• LogD (pH = 7.4): 0.009014229
• Log P: 0.009046503
• Molar Refractivity: 30.8502 cm^3
• Polarizability: 11.862813 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%