2-(pyridin-2-yl)ethanimidamide dihydrochloride

• ChemBase ID: 34030
• Molecular Formular: C7H11Cl2N3
• Molecular Mass: 208.08834
• Monoisotopic Mass: 207.03300273
• SMILES: C(=N)(Cc1ncccc1)N.Cl.Cl
• Canonical SMILES: NC(=N)Cc1ccccn1.Cl.Cl
• InChI: InChI=1S/C7H9N3.2ClH/c8-7(9)5-6-3-1-2-4-10-6;;/h1-4H,5H2,(H3,8,9);2*1H
• InChIKey: XQVVHFRUFHXQOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)ethanimidamide dihydrochloride
• IUPAC Traditional name: 2-(pyridin-2-yl)ethanimidamide dihydrochloride
• Synonyms: 2-Pyridin-2-ylethanimidamide dihydrochloride; 2-(pyridin-2-yl)ethanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD09260529
• PubChem SID: 160997337
• PubChem CID: 42614300

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.373346
• LogD (pH = 7.4): -2.3674433
• Log P: 0.04205757
• Molar Refractivity: 49.253 cm^3
• Polarizability: 14.970648 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): -0.993

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%