4-tert-butylcyclohexane-1-carboximidamide hydrochloride

• ChemBase ID: 239135
• Molecular Formular: C11H23ClN2
• Molecular Mass: 218.76672
• Monoisotopic Mass: 218.15497643
• SMILES: C(=N)(C1CCC(C(C)(C)C)CC1)N.Cl
• Canonical SMILES: NC(=N)C1CCC(CC1)C(C)(C)C.Cl
• InChI: InChI=1S/C11H22N2.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h8-9H,4-7H2,1-3H3,(H3,12,13);1H
• InChIKey: TZWLJIHKHRHIIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butylcyclohexane-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-tert-butylcyclohexane-1-carboximidamide hydrochloride
• Synonyms: 4-tert-butylcyclohexane-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD22378681
• PubChem SID: 164295045
• PubChem CID: 71756336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.05624308
• LogD (pH = 7.4): 0.056700382
• Log P: 2.4716961
• Molar Refractivity: 66.4355 cm^3
• Polarizability: 22.135002 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 274 - 276°C
• Hydrophobicity(logP): 2.653

Product Information

• Purity: 95%