7-azabicyclo[2.2.1]heptane hydrochloride

• ChemBase ID: 70696
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: C12CCC(CC1)N2.Cl
• Canonical SMILES: C1CC2NC1CC2.Cl
• InChI: InChI=1S/C6H11N.ClH/c1-2-6-4-3-5(1)7-6;/h5-7H,1-4H2;1H
• InChIKey: JQHCKZLQJDVZPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-azabicyclo[2.2.1]heptane hydrochloride
• IUPAC Traditional name: 7-azabicyclo[2.2.1]heptane hydrochloride
• Synonyms: 7-Azabicyclo[2,2,1]heptane hydrochloride; 7-azabicyclo[2.2.1]heptane hydrochloride

Database IDs

• CAS Number: 27514-07-4
• MDL Number: MFCD00154183
• PubChem SID: 162036409
• PubChem CID: 16279503

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5019734
• LogD (pH = 7.4): -2.3801162
• Log P: 0.7382506
• Molar Refractivity: 29.1158 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

• Hydrophobicity(logP): 0.69

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl