cyclopropanecarbohydrazide

• ChemBase ID: 27112
• Molecular Formular: C4H8N2O
• Molecular Mass: 100.11912
• Monoisotopic Mass: 100.06366289
• SMILES: C1(C(=O)NN)CC1
• Canonical SMILES: NNC(=O)C1CC1
• InChI: InChI=1S/C4H8N2O/c5-6-4(7)3-1-2-3/h3H,1-2,5H2,(H,6,7)
• InChIKey: JFYKIEHOOZWARC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropanecarbohydrazide
• IUPAC Traditional name: cyclopropanecarbohydrazide
• Synonyms: Cyclopropanecarbohydrazide; Cyclopropanecarboxylic acid hydrazide

Database IDs

• CAS Number: 6952-93-8
• MDL Number: MFCD00045392
• PubChem SID: 160990419
• PubChem CID: 81396

CALCULATED PROPERTIES

• Acid pKa: 12.968735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5494831
• LogD (pH = 7.4): -0.54700077
• Log P: -0.5469678
• Molar Refractivity: 26.3492 cm^3
• Polarizability: 10.032818 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): -1.27

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%