2-(pyridin-3-yl)ethanimidamide dihydrochloride

• ChemBase ID: 34044
• Molecular Formular: C7H11Cl2N3
• Molecular Mass: 208.08834
• Monoisotopic Mass: 207.03300273
• SMILES: C(=N)(Cc1cnccc1)N.Cl.Cl
• Canonical SMILES: NC(=N)Cc1cccnc1.Cl.Cl
• InChI: InChI=1S/C7H9N3.2ClH/c8-7(9)4-6-2-1-3-10-5-6;;/h1-3,5H,4H2,(H3,8,9);2*1H
• InChIKey: SFJVWKVJUXUMMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)ethanimidamide dihydrochloride
• IUPAC Traditional name: 2-(pyridin-3-yl)ethanimidamide dihydrochloride
• Synonyms: 2-Pyridin-3-ylethanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD11983597
• PubChem SID: 160997351
• PubChem CID: 46736937

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7594912
• LogD (pH = 7.4): -2.7571769
• Log P: -0.34379277
• Molar Refractivity: 49.625 cm^3
• Polarizability: 14.969999 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false