2-(2-methylphenyl)ethanimidamide hydrochloride

• ChemBase ID: 236061
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: C(=N)(Cc1c(C)cccc1)N.Cl
• Canonical SMILES: NC(=N)Cc1ccccc1C.Cl
• InChI: InChI=1S/C9H12N2.ClH/c1-7-4-2-3-5-8(7)6-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
• InChIKey: YSOREPRHTJZHRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(2-methylphenyl)ethanimidamide hydrochloride
• Synonyms: 2-(2-methylphenyl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD14707290
• PubChem SID: 164291971
• PubChem CID: 46318422

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0281395
• LogD (pH = 7.4): -1.0267124
• Log P: 1.3873011
• Molar Refractivity: 56.8231 cm^3
• Polarizability: 17.65218 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71 - 73°C
• Hydrophobicity(logP): 0.953

Product Information

• Purity: 95%