octahydrocyclopenta[c]pyrrol-3a-ylmethanol

• ChemBase ID: 52625
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C12CNCC1(CCC2)CO
• Canonical SMILES: OCC12CCCC2CNC1
• InChI: InChI=1S/C8H15NO/c10-6-8-3-1-2-7(8)4-9-5-8/h7,9-10H,1-6H2
• InChIKey: ZUGGTKAULOSNOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydrocyclopenta[c]pyrrol-3a-ylmethanol
• IUPAC Traditional name: hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethanol
• Synonyms: (Octahydrocyclopenta[c]pyrrol-3a-yl)methanol

Database IDs

• CAS Number: 444193-01-5
• MDL Number: MFCD14708212
• PubChem SID: 162057388
• PubChem CID: 46835704

CALCULATED PROPERTIES

• Acid pKa: 15.061121
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2178636
• LogD (pH = 7.4): -3.0193958
• Log P: 0.020937104
• Molar Refractivity: 40.1492 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%