ethyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine dihydrochloride

• ChemBase ID: 284897
• Molecular Formular: C7H17Cl2F3N2
• Molecular Mass: 257.1244896
• Monoisotopic Mass: 256.07208857
• SMILES: C(CN(CCNCC)C)(F)(F)F.Cl.Cl
• Canonical SMILES: CCNCCN(CC(F)(F)F)C.Cl.Cl
• InChI: InChI=1S/C7H15F3N2.2ClH/c1-3-11-4-5-12(2)6-7(8,9)10;;/h11H,3-6H2,1-2H3;2*1H
• InChIKey: ZLHHSZLGJXODJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine dihydrochloride
• IUPAC Traditional name: ethyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine dihydrochloride
• Synonyms: ethyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine dihydrochloride

Database IDs

• MDL Number: MFCD20731169
• PubChem SID: 180670428
• PubChem CID: 56828055

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.08192
• LogD (pH = 7.4): -1.3882649
• Log P: 1.1376703
• Molar Refractivity: 42.9112 cm^3
• Polarizability: 15.98438 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%