3-(morpholin-4-yl)oxan-4-amine dihydrochloride

• ChemBase ID: 275273
• Molecular Formular: C9H20Cl2N2O2
• Molecular Mass: 259.1733
• Monoisotopic Mass: 258.09018325
• SMILES: N1(C2C(N)CCOC2)CCOCC1.Cl.Cl
• Canonical SMILES: NC1CCOCC1N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2O2.2ClH/c10-8-1-4-13-7-9(8)11-2-5-12-6-3-11;;/h8-9H,1-7,10H2;2*1H
• InChIKey: ZCIIFIVFFCAGES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917310
• PubChem SID: 164331183
• PubChem CID: 54593611

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.9626672
• LogD (pH = 7.4): -2.9518638
• Log P: -0.86432135
• Molar Refractivity: 50.2927 cm^3
• Polarizability: 20.293 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.825

Product Information

• Purity: 95%