3-cyclohexylpropanehydrazide

• ChemBase ID: 27116
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(NN)CCC1CCCCC1
• Canonical SMILES: NNC(=O)CCC1CCCCC1
• InChI: InChI=1S/C9H18N2O/c10-11-9(12)7-6-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12)
• InChIKey: KIRFVQALDHTBPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexylpropanehydrazide
• IUPAC Traditional name: 3-cyclohexylpropanehydrazide
• Synonyms: 3-Cyclohexylpropanohydrazide; 3-cyclohexylpropanehydrazide

Database IDs

• CAS Number: 81975-20-4
• MDL Number: MFCD01924176
• PubChem SID: 160990423
• PubChem CID: 1538524

CALCULATED PROPERTIES

• Acid pKa: 13.411317
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4173551
• LogD (pH = 7.4): 1.4198757
• Log P: 1.4199083
• Molar Refractivity: 49.3283 cm^3
• Polarizability: 19.21181 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.555

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%