4-tert-butylbenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812913
• Molecular Formular: C11H17ClN2
• Molecular Mass: 212.71908
• Monoisotopic Mass: 212.10802623
• SMILES: Cl.c1(ccc(cc1)C(C)(C)C)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(cc1)C(C)(C)C.Cl
• InChI: InChI=1S/C11H16N2.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H3,12,13);1H
• InChIKey: ORSURHAFYGGLGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butylbenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-tert-butylbenzenecarboximidamide hydrochloride
• Synonyms: 4-TERT-BUTYL-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 68284-01-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.023377232
• LogD (pH = 7.4): 0.02848147
• Log P: 2.4387705
• Molar Refractivity: 66.3964 cm^3
• Polarizability: 21.331066 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%