Cas no 94135-21-4 (2,4-dimethylbenzene-1,3,5-triamine sulfate)
94135-21-4 structure
Product Name:2,4-dimethylbenzene-1,3,5-triamine sulfate
CAS No:94135-21-4
MF:C8H15N3O4S
MW:249.287400484085
CID:817433
PubChem ID:3023711
Update Time:2025-04-19
2,4-dimethylbenzene-1,3,5-triamine sulfate Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dimethylbenzene-1,3,5-triamine sulfate
- 2,4-dimethylbenzene-1,3,5-triamine,sulfuric acid
- 2,6-dimethylbenzene-1,3,5-triamine sulphate
- 2,6-DIMETHYLBENZENE-1,3,5-TRIAMINE SULFATE
- UNII-78CN8GJ83W
- 1,3,5-Benzenetriamine, 2,6-dimethyl-, sulfate
- SCHEMBL10608304
- DTXSID60240748
- EINECS 302-890-9
- 94135-21-4
- 78CN8GJ83W
- NS00092185
-
- Inchi： 1S/C8H13N3.H2O4S/c1-4-6(9)3-7(10)5(2)8(4)11;1-5(2,3)4/h3H,9-11H2,1-2H3;(H2,1,2,3,4)
- InChI Key： MOVJQGOQYSIWMW-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.NC1C(C)=C(C=C(C=1C)N)N
Computed Properties
- Exact Mass: 249.078
- Monoisotopic Mass: 249.078
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 205
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 161?2
Experimental Properties
- Boiling Point: 369.3°Cat760mmHg
- Flash Point: 205.1°C
2,4-dimethylbenzene-1,3,5-triamine sulfate Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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