4-N-[2-(morpholin-4-yl)ethyl]pyridine-3,4-diamine dihydrochloride

• ChemBase ID: 266399
• Molecular Formular: C11H20Cl2N4O
• Molecular Mass: 295.2087
• Monoisotopic Mass: 294.10141664
• SMILES: N1(CCNc2c(N)cncc2)CCOCC1.Cl.Cl
• Canonical SMILES: Nc1cnccc1NCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H18N4O.2ClH/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15;;/h1-2,9H,3-8,12H2,(H,13,14);2*1H
• InChIKey: IYTYHVNVEBMTCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-N-[2-(morpholin-4-yl)ethyl]pyridine-3,4-diamine dihydrochloride
• IUPAC Traditional name: 4-N-[2-(morpholin-4-yl)ethyl]pyridine-3,4-diamine dihydrochloride
• Synonyms: 4-N-[2-(morpholin-4-yl)ethyl]pyridine-3,4-diamine dihydrochloride

Database IDs

• MDL Number: MFCD15209662
• PubChem SID: 164322309
• PubChem CID: 47002688

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.8635957
• LogD (pH = 7.4): -1.7843125
• Log P: -0.80043036
• Molar Refractivity: 65.8889 cm^3
• Polarizability: 24.247292 Å^3
• Polar Surface Area: 63.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 285 - 287°C
• Hydrophobicity(logP): 1.005

Product Information

• Purity: 95%