cyclohex-3-ene-1-carboximidamide hydrochloride

• ChemBase ID: 238676
• Molecular Formular: C7H13ClN2
• Molecular Mass: 160.64452
• Monoisotopic Mass: 160.07672611
• SMILES: C(=N)(C1CC=CCC1)N.Cl
• Canonical SMILES: NC(=N)C1CCC=CC1.Cl
• InChI: InChI=1S/C7H12N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-2,6H,3-5H2,(H3,8,9);1H
• InChIKey: IZISISNMBXFYHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohex-3-ene-1-carboximidamide hydrochloride
• IUPAC Traditional name: cyclohex-3-ene-1-carboximidamide hydrochloride
• Synonyms: cyclohex-3-ene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD09260685
• PubChem SID: 164294586
• PubChem CID: 42614706

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6243312
• LogD (pH = 7.4): -1.6237693
• Log P: 0.7911204
• Molar Refractivity: 49.3788 cm^3
• Polarizability: 14.517888 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.323

Product Information

• Purity: 95%