3-[2-(pyrrolidin-1-yl)ethoxy]pyrrolidine dihydrochloride

• ChemBase ID: 238322
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(CCOC2CCNC2)CCCC1.Cl.Cl
• Canonical SMILES: C1NCC(C1)OCCN1CCCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c1-2-6-12(5-1)7-8-13-10-3-4-11-9-10;;/h10-11H,1-9H2;2*1H
• InChIKey: GJMPLMXQUAVIIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(pyrrolidin-1-yl)ethoxy]pyrrolidine dihydrochloride
• IUPAC Traditional name: 3-[2-(pyrrolidin-1-yl)ethoxy]pyrrolidine dihydrochloride
• Synonyms: 3-[2-(pyrrolidin-1-yl)ethoxy]pyrrolidine dihydrochloride

Database IDs

• MDL Number: MFCD22378600
• PubChem SID: 164294232
• PubChem CID: 71756147

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.3289247
• LogD (pH = 7.4): -4.381019
• Log P: 0.13278988
• Molar Refractivity: 53.8636 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.612

Product Information

• Purity: 95%