2-(2-aminoethyl)aniline dihydrochloride

• ChemBase ID: 289854
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: Nc1ccccc1CCN.Cl.Cl
• Canonical SMILES: NCCc1ccccc1N.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c9-6-5-7-3-1-2-4-8(7)10;;/h1-4H,5-6,9-10H2;2*1H
• InChIKey: KRZZSHRMVZTDTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)aniline dihydrochloride
• IUPAC Traditional name: 2-(2-aminoethyl)aniline dihydrochloride
• Synonyms: 2-(2-Aminoethyl)aniline dihydrochloride

Database IDs

• CAS Number: 1159823-45-6
• PubChem SID: 180675385
• PubChem CID: 46738113

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4688635
• LogD (pH = 7.4): -1.7658792
• Log P: 0.5587495
• Molar Refractivity: 43.9868 cm^3
• Polarizability: 16.625843 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%