(2H3)ethanimidamide hydrochloride

• ChemBase ID: 158845
• Molecular Formular: C2H7ClN2
• Molecular Mass: 94.54338
• Monoisotopic Mass: 94.02977591
• SMILES: NC(=N)C.Cl
• Canonical SMILES: CC(=N)N.Cl
• InChI: InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
• InChIKey: WCQOBLXWLRDEQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)ethanimidamide hydrochloride
• IUPAC Traditional name: (^2H₃)ethanimidamide hydrochloride
• Synonyms: Ethanimidamide-d3 Hydrochloride; Acediamine-d3 Hydrochloride; Acetamidinium-d3 Chloride; Methylamidine-d3 Hydrochloride; Acetamidine-d3 Hydrochloride

Database IDs

• PubChem SID: 162252980
• PubChem CID: 71312712

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3759153
• LogD (pH = 7.4): -3.37563
• Log P: -0.9604601
• Molar Refractivity: 27.06 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid