[2-(dimethylamino)ethyl](furan-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 122611
• Molecular Formular: C9H18Cl2N2O
• Molecular Mass: 241.15802
• Monoisotopic Mass: 240.07961857
• SMILES: c1(occc1)CNCCN(C)C.Cl.Cl
• Canonical SMILES: CN(CCNCc1ccco1)C.Cl.Cl
• InChI: InChI=1S/C9H16N2O.2ClH/c1-11(2)6-5-10-8-9-4-3-7-12-9;;/h3-4,7,10H,5-6,8H2,1-2H3;2*1H
• InChIKey: WXMRMGSLCLQJDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](furan-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: [2-(dimethylamino)ethyl](furan-2-ylmethyl)amine dihydrochloride
• Synonyms: N1-(furan-2-ylmethyl)-N2,N2-dimethylethane-1,2-diamine dihydrochloride

Database IDs

• PubChem SID: 162216964
• PubChem CID: 17331104

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4650238
• LogD (pH = 7.4): -0.7669729
• Log P: 0.6104858
• Molar Refractivity: 49.716 cm^3
• Polarizability: 19.44995 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl