1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-diamine

• ChemBase ID: 157276
• Molecular Formular: C22H24N2
• Molecular Mass: 316.43936
• Monoisotopic Mass: 316.19394878
• SMILES: Cc1ccc(c(c1)C)Nc1ccc(cc1)Nc1ccc(cc1C)C
• Canonical SMILES: Cc1ccc(c(c1)C)Nc1ccc(cc1)Nc1ccc(cc1C)C
• InChI: InChI=1S/C22H24N2/c1-15-5-11-21(17(3)13-15)23-19-7-9-20(10-8-19)24-22-12-6-16(2)14-18(22)4/h5-14,23-24H,1-4H3
• InChIKey: RFFXHZVNHOVMKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-diamine
• IUPAC Traditional name: 1-N,4-N-bis(2,4-dimethylphenyl)benzene-1,4-diamine
• Synonyms: N,N′-Bis-(2,4-dimethylphenyl)-p-phenylenediamine; N,N′-Di-(2,4-xylyl)-p-phenylenediamine; DXPD; N,N′-二(2,4-二甲苯基)-对苯二胺; N,N′-双(2,4-二甲基苯基)-对苯二胺

Database IDs

• CAS Number: 76154-76-2
• MDL Number: MFCD05865281
• PubChem SID: 162251413
• PubChem CID: 21712940

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 6.9058847
• LogD (pH = 7.4): 6.9067717
• Log P: 6.906783
• Molar Refractivity: 103.1952 cm^3
• Polarizability: 38.943794 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C22H24N2