bicyclo[2.2.1]heptane-2-carboximidamide hydrochloride

• ChemBase ID: 248887
• Molecular Formular: C8H15ClN2
• Molecular Mass: 174.6711
• Monoisotopic Mass: 174.09237617
• SMILES: C1(C(=N)N)C2CC(C1)CC2.Cl
• Canonical SMILES: NC(=N)C1CC2CC1CC2.Cl
• InChI: InChI=1S/C8H14N2.ClH/c9-8(10)7-4-5-1-2-6(7)3-5;/h5-7H,1-4H2,(H3,9,10);1H
• InChIKey: SFCAPWBCOBSAMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304797
• PubChem CID: 69184728

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5966662
• LogD (pH = 7.4): -1.5961231
• Log P: 0.81878567
• Molar Refractivity: 50.9562 cm^3
• Polarizability: 15.868868 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 247 - 249°C
• Hydrophobicity(logP): 1.082

Product Information

• Purity: 95%