[6-(morpholin-4-yl)pyridin-3-yl]methanamine dihydrochloride

• ChemBase ID: 263060
• Molecular Formular: C10H17Cl2N3O
• Molecular Mass: 266.16748
• Monoisotopic Mass: 265.07486754
• SMILES: c1(N2CCOCC2)ncc(cc1)CN.Cl.Cl
• Canonical SMILES: NCc1ccc(nc1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H15N3O.2ClH/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13;;/h1-2,8H,3-7,11H2;2*1H
• InChIKey: BNXJBZYJBXXJLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(morpholin-4-yl)pyridin-3-yl]methanamine dihydrochloride
• IUPAC Traditional name: [6-(morpholin-4-yl)pyridin-3-yl]methanamine dihydrochloride
• Synonyms: [6-(morpholin-4-yl)pyridin-3-yl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD13195953
• PubChem SID: 164318970
• PubChem CID: 45792229

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6303542
• LogD (pH = 7.4): -1.4972895
• Log P: 0.36534277
• Molar Refractivity: 56.1911 cm^3
• Polarizability: 21.260817 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.398

Product Information

• Purity: 95%