N-aminopyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 272185
• Molecular Formular: C6H10Cl2N4
• Molecular Mass: 209.0764
• Monoisotopic Mass: 208.0282517
• SMILES: C(=N)(c1cnccc1)NN.Cl.Cl
• Canonical SMILES: NNC(=N)c1cccnc1.Cl.Cl
• InChI: InChI=1S/C6H8N4.2ClH/c7-6(10-8)5-2-1-3-9-4-5;;/h1-4H,8H2,(H2,7,10);2*1H
• InChIKey: MTYSNTDTUUPRDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-aminopyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: N-aminopyridine-3-carboximidamide dihydrochloride
• Synonyms: N-aminopyridine-3-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD18089523
• PubChem SID: 164328095
• PubChem CID: 50988428

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.921139
• LogD (pH = 7.4): -1.9145631
• Log P: -0.5556005
• Molar Refractivity: 60.5505 cm^3
• Polarizability: 14.547731 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): 0.262

Product Information

• Purity: 95%