tetramethylbenzene-1,4-diamine

• ChemBase ID: 75337
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: Nc1c(c(c(c(c1C)C)N)C)C
• Canonical SMILES: Cc1c(N)c(C)c(c(c1C)N)C
• InChI: InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
• InChIKey: WCZNKVPCIFMXEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylbenzene-1,4-diamine
• IUPAC Traditional name: tetramethylbenzene-1,4-diamine
• Synonyms: 2,3,5,6-Tetramethyl-1,4-phenylenediamine; 3,6-Diaminodurene; 2,3,5,6-Tetramethylbenzene-1,4-diamine; 2,3,5,6-Tetramethyl-p-phenylenediamine; 3,6-二氨基四甲基苯; 2,3,5,6-四甲基-对苯二胺

Database IDs

• CAS Number: 3102-87-2
• EC Number: 221-457-4
• MDL Number: MFCD00007905
• Beilstein Number: 2208743
• PubChem SID: 24859811; 24849932; 24874367; 162040255
• PubChem CID: 76548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4136134
• LogD (pH = 7.4): 2.3258057
• Log P: 2.3690794
• Molar Refractivity: 55.6236 cm^3
• Polarizability: 19.677818 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-154 °C; 150-155 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (NT); 97%; 99% trace metals basis
• Grade: electronic grade; purum
• Linear Formula: (CH3)4C6(NH2)2

DETAILS

Sigma Aldrich - 523755

Other Notes
Contains low metals
Packaging
10 g in poly bottle
Application
Monomer used in the preparation of polyimide coatings for electronic applications-IC passivation, dielectric for multichip modules, and as a stress relief layer in sensor applications.