cyclobutanecarbohydrazide

• ChemBase ID: 34628
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: C1CCC1C(=O)NN
• Canonical SMILES: NNC(=O)C1CCC1
• InChI: InChI=1S/C5H10N2O/c6-7-5(8)4-2-1-3-4/h4H,1-3,6H2,(H,7,8)
• InChIKey: KYUUPPKLZSVGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutanecarbohydrazide
• IUPAC Traditional name: cyclobutanecarbohydrazide
• Synonyms: Cyclobutanecarbohydrazide; Cyclobutanecarbohydrazide

Database IDs

• CAS Number: 98069-56-8
• MDL Number: MFCD03129354
• PubChem SID: 160997935
• PubChem CID: 969366

CALCULATED PROPERTIES

• Acid pKa: 13.092432
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.10491442
• LogD (pH = 7.4): -0.10243177
• Log P: -0.10239913
• Molar Refractivity: 30.9502 cm^3
• Polarizability: 11.862813 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): -0.711

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 25
• Safety Statements: 45
• TSCA Listed: false
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C5H10N2O

DETAILS

Sigma Aldrich - CBR00212

Other Notes
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Legal Information
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