(2-aminoethyl)(2,2,2-trifluoroethyl)amine dihydrochloride

• ChemBase ID: 278118
• Molecular Formular: C4H11Cl2F3N2
• Molecular Mass: 215.0447496
• Monoisotopic Mass: 214.02513838
• SMILES: C(F)(F)(F)CNCCN.Cl.Cl
• Canonical SMILES: NCCNCC(F)(F)F.Cl.Cl
• InChI: InChI=1S/C4H9F3N2.2ClH/c5-4(6,7)3-9-2-1-8;;/h9H,1-3,8H2;2*1H
• InChIKey: FAYAZYWTHRKPSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(2,2,2-trifluoroethyl)amine dihydrochloride
• IUPAC Traditional name: (2-aminoethyl)(2,2,2-trifluoroethyl)amine dihydrochloride
• Synonyms: (2-aminoethyl)(2,2,2-trifluoroethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD19982501
• PubChem SID: 164334028
• PubChem CID: 54594824

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0109172
• LogD (pH = 7.4): -1.9807837
• Log P: -0.034766044
• Molar Refractivity: 28.0933 cm^3
• Polarizability: 10.629921 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243 - 245°C
• Hydrophobicity(logP): -0.603

Product Information

• Purity: 95%