2-cyclohexylacetohydrazide

• ChemBase ID: 27142
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(NN)CC1CCCCC1
• Canonical SMILES: NNC(=O)CC1CCCCC1
• InChI: InChI=1S/C8H16N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h7H,1-6,9H2,(H,10,11)
• InChIKey: JFBXNQGAIGCUKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylacetohydrazide
• IUPAC Traditional name: 2-cyclohexylacetohydrazide
• Synonyms: 2-Cyclohexylacetohydrazide

Database IDs

• CAS Number: 27563-60-6
• MDL Number: MFCD02244577
• PubChem SID: 160990449
• PubChem CID: 3818673

CALCULATED PROPERTIES

• Acid pKa: 13.359422
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.97278893
• LogD (pH = 7.4): 0.97530705
• Log P: 0.97533965
• Molar Refractivity: 44.7273 cm^3
• Polarizability: 17.371826 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 1.026

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%