7-hydroxybicyclo[3.3.1]nonane-3-carbohydrazide hydrochloride

• ChemBase ID: 71996
• Molecular Formular: C10H19ClN2O2
• Molecular Mass: 234.72306
• Monoisotopic Mass: 234.11350554
• SMILES: C1C2CC(CC1CC(C2)C(=O)NN)O.Cl
• Canonical SMILES: NNC(=O)C1CC2CC(CC(C1)C2)O.Cl
• InChI: InChI=1S/C10H18N2O2.ClH/c11-12-10(14)8-2-6-1-7(3-8)5-9(13)4-6;/h6-9,13H,1-5,11H2,(H,12,14);1H
• InChIKey: QQZAOJOQPDNXJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxybicyclo[3.3.1]nonane-3-carbohydrazide hydrochloride
• IUPAC Traditional name: 7-hydroxybicyclo[3.3.1]nonane-3-carbohydrazide hydrochloride
• Synonyms: 7-Hydroxybicyclo[3.3.1]nonane-3-carbohydrazide hydrochloride

Database IDs

• PubChem SID: 162103850
• PubChem CID: 71299926

CALCULATED PROPERTIES

• Acid pKa: 12.997401
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.047614537
• LogD (pH = 7.4): -0.045132153
• Log P: -0.045099374
• Molar Refractivity: 53.7177 cm^3
• Polarizability: 20.965158 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT