1,2-bis(4-chlorophenyl)ethane-1,2-diamine

• ChemBase ID: 799681
• Molecular Formular: C14H14Cl2N2
• Molecular Mass: 281.18036
• Monoisotopic Mass: 280.05340382
• SMILES: C(C(N)c1ccc(cc1)Cl)(N)c1ccc(cc1)Cl
• Canonical SMILES: NC(C(c1ccc(cc1)Cl)N)c1ccc(cc1)Cl
• InChI: InChI=1S/C14H14Cl2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2
• InChIKey: HHPPUZSHKRJDIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(4-chlorophenyl)ethane-1,2-diamine
• IUPAC Traditional name: 1,2-bis(4-chlorophenyl)ethane-1,2-diamine
• Synonyms: 1,2-bis(4-chlorophenyl)ethane-1,2-diamine

Database IDs

• CAS Number: 86212-34-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5735539
• LogD (pH = 7.4): 1.5913191
• Log P: 3.3541272
• Molar Refractivity: 76.0438 cm^3
• Polarizability: 30.371284 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%