6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 273270
• Molecular Formular: C12H20Cl2N4O
• Molecular Mass: 307.2194
• Monoisotopic Mass: 306.10141664
• SMILES: N1(c2ncc(C(=N)N)cc2)CC(OCC1C)C.Cl.Cl
• Canonical SMILES: CC1OCC(N(C1)c1ccc(cn1)C(=N)N)C.Cl.Cl
• InChI: InChI=1S/C12H18N4O.2ClH/c1-8-7-17-9(2)6-16(8)11-4-3-10(5-15-11)12(13)14;;/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14);2*1H
• InChIKey: SYBDXWKSVIAUMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: 6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride
• Synonyms: 6-(2,5-dimethylmorpholin-4-yl)pyridine-3-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD18483307
• PubChem SID: 164329180
• PubChem CID: 54592796

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.4220726
• LogD (pH = 7.4): -1.4054015
• Log P: 0.99319285
• Molar Refractivity: 78.2278 cm^3
• Polarizability: 25.277653 Å^3
• Polar Surface Area: 75.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.716

Product Information

• Purity: 95%