2-azabicyclo[2.2.1]heptane hydrochloride

• ChemBase ID: 261914
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: N1C2CC(C1)CC2.Cl
• Canonical SMILES: C1CC2CC1NC2.Cl
• InChI: InChI=1S/C6H11N.ClH/c1-2-6-3-5(1)4-7-6;/h5-7H,1-4H2;1H
• InChIKey: YHUFGQLJZGRCCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azabicyclo[2.2.1]heptane hydrochloride
• IUPAC Traditional name: 2-azabicyclo[2.2.1]heptane hydrochloride
• Synonyms: 2-azabicyclo[2.2.1]heptane hydrochloride

Database IDs

• MDL Number: MFCD13516979
• PubChem SID: 164317824
• PubChem CID: 20070801

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6320963
• LogD (pH = 7.4): -2.5450666
• Log P: 0.6086947
• Molar Refractivity: 29.2456 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%