cyclopentanecarbohydrazide

• ChemBase ID: 27115
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C(=O)(NN)C1CCCC1
• Canonical SMILES: NNC(=O)C1CCCC1
• InChI: InChI=1S/C6H12N2O/c7-8-6(9)5-3-1-2-4-5/h5H,1-4,7H2,(H,8,9)
• InChIKey: IXEIBWLTZYOBPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentanecarbohydrazide
• IUPAC Traditional name: cyclopentanecarbohydrazide
• Synonyms: Cyclopentanecarbohydrazide

Database IDs

• CAS Number: 3400-07-5
• MDL Number: MFCD03002174
• PubChem SID: 160990422
• PubChem CID: 240040

CALCULATED PROPERTIES

• Acid pKa: 13.186004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.33965427
• LogD (pH = 7.4): 0.3421371
• Log P: 0.34216952
• Molar Refractivity: 35.5512 cm^3
• Polarizability: 13.696704 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): -0.152

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%