2-(morpholin-4-yl)pyridin-3-amine dihydrochloride

• ChemBase ID: 262553
• Molecular Formular: C9H15Cl2N3O
• Molecular Mass: 252.1409
• Monoisotopic Mass: 251.05921748
• SMILES: c1(N2CCOCC2)ncccc1N.Cl.Cl
• Canonical SMILES: Nc1cccnc1N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C9H13N3O.2ClH/c10-8-2-1-3-11-9(8)12-4-6-13-7-5-12;;/h1-3H,4-7,10H2;2*1H
• InChIKey: DLYMSQZZOCZRCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 2-(morpholin-4-yl)pyridin-3-amine dihydrochloride
• Synonyms: 2-(morpholin-4-yl)pyridin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD12913193
• PubChem SID: 164318463
• PubChem CID: 45792106

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7773493
• LogD (pH = 7.4): 0.28158575
• Log P: 0.41064838
• Molar Refractivity: 52.4181 cm^3
• Polarizability: 19.045212 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.323

Product Information

• Purity: 95%