6-(morpholin-4-yl)pyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 240478
• Molecular Formular: C10H16Cl2N4O
• Molecular Mass: 279.16624
• Monoisotopic Mass: 278.07011651
• SMILES: c1(ncc(C(=N)N)cc1)N1CCOCC1.Cl.Cl
• Canonical SMILES: NC(=N)c1ccc(nc1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H14N4O.2ClH/c11-10(12)8-1-2-9(13-7-8)14-3-5-15-6-4-14;;/h1-2,7H,3-6H2,(H3,11,12);2*1H
• InChIKey: WMOQTUJBQYIPAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-3-carboximidamide dihydrochloride
• Synonyms: 6-(morpholin-4-yl)pyridine-3-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD22392152
• PubChem SID: 164296388
• PubChem CID: 71756563

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2552285
• LogD (pH = 7.4): -2.2388446
• Log P: 0.16004281
• Molar Refractivity: 69.3902 cm^3
• Polarizability: 21.603153 Å^3
• Polar Surface Area: 75.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.322

Product Information

• Purity: 95%