[(1-ethyl-1H-imidazol-2-yl)methyl](furan-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 55653
• Molecular Formular: C11H17Cl2N3O
• Molecular Mass: 278.17818
• Monoisotopic Mass: 277.07486754
• SMILES: c1(n(ccn1)CC)CNCc1occc1.Cl.Cl
• Canonical SMILES: CCn1ccnc1CNCc1ccco1.Cl.Cl
• InChI: InChI=1S/C11H15N3O.2ClH/c1-2-14-6-5-13-11(14)9-12-8-10-4-3-7-15-10;;/h3-7,12H,2,8-9H2,1H3;2*1H
• InChIKey: DEUPVPSYTSJBAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-imidazol-2-yl)methyl](furan-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: [(1-ethylimidazol-2-yl)methyl](furan-2-ylmethyl)amine dihydrochloride
• Synonyms: [(1-Ethyl-1H-imidazol-2-yl)methyl](2-furylmethyl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD18071373
• PubChem SID: 162060416
• PubChem CID: 56773680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.09642771
• LogD (pH = 7.4): 0.80739635
• Log P: 0.85149485
• Molar Refractivity: 58.2366 cm^3
• Polarizability: 22.406487 Å^3
• Polar Surface Area: 42.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false