8-azabicyclo[3.2.1]oct-2-ene hydrochloride

• ChemBase ID: 242646
• Molecular Formular: C7H12ClN
• Molecular Mass: 145.62988
• Monoisotopic Mass: 145.06582707
• SMILES: N1C2C=CCC1CC2.Cl
• Canonical SMILES: C1=CC2NC(C1)CC2.Cl
• InChI: InChI=1S/C7H11N.ClH/c1-2-6-4-5-7(3-1)8-6;/h1-2,6-8H,3-5H2;1H
• InChIKey: LSUMTEMFIXRQAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-azabicyclo[3.2.1]oct-2-ene hydrochloride
• IUPAC Traditional name: 8-azabicyclo[3.2.1]oct-2-ene hydrochloride
• Synonyms: 8-azabicyclo[3.2.1]oct-2-ene hydrochloride

Database IDs

• MDL Number: MFCD22566077
• PubChem SID: 164298556
• PubChem CID: 71757059

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2564301
• LogD (pH = 7.4): -1.8466011
• Log P: 0.9768051
• Molar Refractivity: 34.6794 cm^3
• Polarizability: 13.471082 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.965

Product Information

• Purity: 95%