octahydrocyclopenta[c]pyrrole hydrochloride

• ChemBase ID: 67235
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: N1CC2C(C1)CCC2.Cl
• Canonical SMILES: C1CC2C(C1)CNC2.Cl
• InChI: InChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H
• InChIKey: HVZRRRPCVOJOLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydrocyclopenta[c]pyrrole hydrochloride
• IUPAC Traditional name: octahydrocyclopenta[c]pyrrole hydrochloride
• Synonyms: 3-Azabicyclo[3.3.0]octane hydrochloride; Octahydrocyclopenta[c]pyrrole hydrochloride; 3-Azabicyclo[3.3.0]octanehydrochloride

Database IDs

• CAS Number: 112626-50-3
• MDL Number: MFCD06411019
• PubChem SID: 162032971
• PubChem CID: 21572123

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3175461
• LogD (pH = 7.4): -2.2611938
• Log P: 0.9237074
• Molar Refractivity: 33.9764 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.249

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%