Cas no 921205-88-1 (2-Methylbenzene-1,3,5-triamine;sulfuric acid)
921205-88-1 structure
Product Name:2-Methylbenzene-1,3,5-triamine;sulfuric acid
CAS No:921205-88-1
MF:C7H15N3O8S2
MW:333.339299440384
CID:745337
Update Time:2023-08-03
2-Methylbenzene-1,3,5-triamine;sulfuric acid Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Benzenetriamine, 2-methyl-, sulfate (1:2)
- 2-methylbenzene-1,3,5-triamine,sulfuric acid
- Sulfuric acid--2-methylbenzene-1,3,5-triamine (2/1)
- 2-Methylbenzene-1,3,5-triamine;sulfuric acid
-
- Inchi： 1S/C7H11N3.2H2O4S/c1-4-6(9)2-5(8)3-7(4)10;2*1-5(2,3)4/h2-3H,8-10H2,1H3;2*(H2,1,2,3,4)
- InChI Key： JGSGFXYQBNNBED-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.S(=O)(=O)(O)O.NC1C=C(C=C(C=1C)N)N
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 185
- Topological Polar Surface Area: 244
2-Methylbenzene-1,3,5-triamine;sulfuric acid Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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