(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine dihydrochloride

• ChemBase ID: 55681
• Molecular Formular: C11H20Cl2N2O2
• Molecular Mass: 283.1947
• Monoisotopic Mass: 282.09018325
• SMILES: N1(CCNCc2occc2)CCOCC1.Cl.Cl
• Canonical SMILES: O1CCN(CC1)CCNCc1ccco1.Cl.Cl
• InChI: InChI=1S/C11H18N2O2.2ClH/c1-2-11(15-7-1)10-12-3-4-13-5-8-14-9-6-13;;/h1-2,7,12H,3-6,8-10H2;2*1H
• InChIKey: RDTRNAJVCPGVHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: (furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine dihydrochloride
• Synonyms: N-(2-Furylmethyl)-2-morpholin-4-ylethanamine dihydrochloride; N-(furan-2-ylmethyl)-2-morpholinoethanamine dihydrochloride

Database IDs

• CAS Number: 880813-53-6
• MDL Number: MFCD07168987
• PubChem SID: 162060444
• PubChem CID: 6463329

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.155852
• LogD (pH = 7.4): -0.40331215
• Log P: 0.39198536
• Molar Refractivity: 58.7905 cm^3
• Polarizability: 23.096922 Å^3
• Polar Surface Area: 37.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: 2 HCl