dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine dihydrochloride

• ChemBase ID: 238644
• Molecular Formular: C8H20Cl2N2O
• Molecular Mass: 231.1632
• Monoisotopic Mass: 230.09526863
• SMILES: N1CCC(OCCN(C)C)C1.Cl.Cl
• Canonical SMILES: CN(CCOC1CNCC1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2O.2ClH/c1-10(2)5-6-11-8-3-4-9-7-8;;/h8-9H,3-7H2,1-2H3;2*1H
• InChIKey: RAQUGEPZOLFCQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375429
• PubChem SID: 164294554
• PubChem CID: 71756212

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.6360455
• LogD (pH = 7.4): -4.6049485
• Log P: -0.2730076
• Molar Refractivity: 46.3226 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 0.104

Product Information

• Purity: 95%