octahydropyrano[4,3-b]morpholine hydrochloride

• ChemBase ID: 246336
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C12NCCOC1CCOC2.Cl
• Canonical SMILES: C1OCC2C(C1)OCCN2.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-3-9-5-6-7(1)10-4-2-8-6;/h6-8H,1-5H2;1H
• InChIKey: HIZXFQRAWQKQQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydropyrano[4,3-b]morpholine hydrochloride
• IUPAC Traditional name: octahydropyrano[4,3-b]morpholine hydrochloride
• Synonyms: octahydropyrano[4,3-b]morpholine hydrochloride

Database IDs

• MDL Number: MFCD23144287
• PubChem SID: 164302246
• PubChem CID: 71757957

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.847382
• LogD (pH = 7.4): -1.1168674
• Log P: -0.45038548
• Molar Refractivity: 37.0482 cm^3
• Polarizability: 15.092001 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -0.847

Product Information

• Purity: 95%