4-[2-(pyrrolidin-3-yloxy)ethyl]morpholine dihydrochloride

• ChemBase ID: 238362
• Molecular Formular: C10H22Cl2N2O2
• Molecular Mass: 273.19988
• Monoisotopic Mass: 272.10583331
• SMILES: N1(CCOC2CCNC2)CCOCC1.Cl.Cl
• Canonical SMILES: O1CCN(CC1)CCOC1CNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O2.2ClH/c1-2-11-9-10(1)14-8-5-12-3-6-13-7-4-12;;/h10-11H,1-9H2;2*1H
• InChIKey: TWWQGGILSZTOPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyrrolidin-3-yloxy)ethyl]morpholine dihydrochloride
• IUPAC Traditional name: 4-[2-(pyrrolidin-3-yloxy)ethyl]morpholine dihydrochloride
• Synonyms: 4-[2-(pyrrolidin-3-yloxy)ethyl]morpholine dihydrochloride

Database IDs

• MDL Number: MFCD22375378
• PubChem SID: 164294272
• PubChem CID: 71756158

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.9902635
• LogD (pH = 7.4): -3.4311206
• Log P: -0.49150804
• Molar Refractivity: 55.3971 cm^3
• Polarizability: 22.131233 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.088

Product Information

• Purity: 95%