2-(1-aminoethyl)aniline dihydrochloride

• ChemBase ID: 244534
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: c1(c(N)cccc1)C(N)C.Cl.Cl
• Canonical SMILES: CC(c1ccccc1N)N.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-6(9)7-4-2-3-5-8(7)10;;/h2-6H,9-10H2,1H3;2*1H
• InChIKey: CYZXOUYXVLWRTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminoethyl)aniline dihydrochloride
• IUPAC Traditional name: 2-(1-aminoethyl)aniline dihydrochloride
• Synonyms: 2-(1-aminoethyl)aniline dihydrochloride

Database IDs

• MDL Number: MFCD22628544
• PubChem SID: 164300444
• PubChem CID: 71757533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2819328
• LogD (pH = 7.4): -1.2090485
• Log P: 0.6866633
• Molar Refractivity: 43.6506 cm^3
• Polarizability: 16.703205 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.126

Product Information

• Purity: 95%