4-ethylbenzene-1-carboximidamide hydrochloride

• ChemBase ID: 275720
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: C(=N)(c1ccc(cc1)CC)N.Cl
• Canonical SMILES: CCc1ccc(cc1)C(=N)N.Cl
• InChI: InChI=1S/C9H12N2.ClH/c1-2-7-3-5-8(6-4-7)9(10)11;/h3-6H,2H2,1H3,(H3,10,11);1H
• InChIKey: KVZPICRJHAAEDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylbenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-ethylbenzenecarboximidamide hydrochloride
• Synonyms: 4-ethylbenzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD19381940
• PubChem SID: 164331630
• PubChem CID: 15564107

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.563697
• LogD (pH = 7.4): -0.55921173
• Log P: 1.8517044
• Molar Refractivity: 57.3727 cm^3
• Polarizability: 17.640257 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 1.673

Product Information

• Purity: 95%