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3102-87-2 molecular structure
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tetramethylbenzene-1,4-diamine

ChemBase ID: 75337
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

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

Cite this record

CBID:75337 http://www.chembase.cn/molecule-75337.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76548 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4136134  LogD (pH = 7.4) 2.3258057 
Log P 2.3690794  Molar Refractivity 55.6236 cm3
Polarizability 19.677818 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
150-154 °C expand Show data source
150-155 °C(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% (NT) expand Show data source
97% expand Show data source
99% trace metals basis expand Show data source
Grade
electronic grade expand Show data source
purum expand Show data source
Linear Formula
(CH3)4C6(NH2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 523755 external link
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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