4-(cyclopentyloxy)benzohydrazide

• ChemBase ID: 27271
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C(=O)(c1ccc(OC2CCCC2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)OC1CCCC1
• InChI: InChI=1S/C12H16N2O2/c13-14-12(15)9-5-7-11(8-6-9)16-10-3-1-2-4-10/h5-8,10H,1-4,13H2,(H,14,15)
• InChIKey: GSJAVLKWVIUIKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentyloxy)benzohydrazide
• IUPAC Traditional name: 4-(cyclopentyloxy)benzohydrazide
• Synonyms: 4-(Cyclopentyloxy)benzohydrazide

Database IDs

• MDL Number: MFCD03423142
• PubChem SID: 160990578
• PubChem CID: 3626665

CALCULATED PROPERTIES

• Acid pKa: 14.5006895
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7234945
• LogD (pH = 7.4): 1.724429
• Log P: 1.724441
• Molar Refractivity: 62.4969 cm^3
• Polarizability: 23.74133 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false