4-methylcyclohexane-1-carboximidamide hydrochloride

• ChemBase ID: 239224
• Molecular Formular: C8H17ClN2
• Molecular Mass: 176.68698
• Monoisotopic Mass: 176.10802623
• SMILES: C(=N)(C1CCC(CC1)C)N.Cl
• Canonical SMILES: CC1CCC(CC1)C(=N)N.Cl
• InChI: InChI=1S/C8H16N2.ClH/c1-6-2-4-7(5-3-6)8(9)10;/h6-7H,2-5H2,1H3,(H3,9,10);1H
• InChIKey: AHVQXPKGJVRCQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylcyclohexane-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-methylcyclohexane-1-carboximidamide hydrochloride
• Synonyms: 4-methylcyclohexane-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD22378694
• PubChem SID: 164295134
• PubChem CID: 71756349

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9753918
• LogD (pH = 7.4): -0.9749345
• Log P: 1.4400612
• Molar Refractivity: 52.8108 cm^3
• Polarizability: 16.600618 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): 1.326

Product Information

• Purity: 95%