4-(pyrrolidin-3-yl)morpholine dihydrochloride

• ChemBase ID: 48038
• Molecular Formular: C8H18Cl2N2O
• Molecular Mass: 229.14732
• Monoisotopic Mass: 228.07961857
• SMILES: N1(C2CCNC2)CCOCC1.Cl.Cl
• Canonical SMILES: O1CCN(CC1)C1CNCC1.Cl.Cl
• InChI: InChI=1S/C8H16N2O.2ClH/c1-2-9-7-8(1)10-3-5-11-6-4-10;;/h8-9H,1-7H2;2*1H
• InChIKey: JOKGCNPIOYEVKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-3-yl)morpholine dihydrochloride
• IUPAC Traditional name: 4-(pyrrolidin-3-yl)morpholine dihydrochloride
• Synonyms: 4-(3-Pyrrolidinyl)morpholine dihydrochloride

Database IDs

• MDL Number: MFCD13561583
• PubChem SID: 162052801
• PubChem CID: 53409900

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7765143
• LogD (pH = 7.4): -3.4477358
• Log P: -0.44453254
• Molar Refractivity: 44.3536 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false