Cas no 540-25-0 (p-toluidine sulphate)
p-toluidine sulphate structure
Product Name:p-toluidine sulphate
p-toluidine sulphate Chemical and Physical Properties
Names and Identifiers
-
- p-toluidine sulphate
- p-Toluidine sulfate
- 4-methylaniline,sulfuric acid
- 4-methylaniline sulfate
- SCHEMBL6839879
- EINECS 208-741-3
- p-Toluidine sulphate (1:1)
- DTXSID70202312
- 540-25-0
- 4-methylaniline;sulfuric acid
-
- MDL: MFCD03427502
- Inchi: 1S/C7H9N.H2O4S/c1-6-2-4-7(8)5-3-6;1-5(2,3)4/h2-5H,8H2,1H3;(H2,1,2,3,4)
- InChI Key: JWDHUQFIBCVYRH-UHFFFAOYSA-N
- SMILES: S(=O)(=O)(O)O.NC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 205.04093
- Monoisotopic Mass: 205.040879
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 144
- 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: 109
Experimental Properties
- Boiling Point: 197.4°C at 760 mmHg
- Flash Point: 84.5°C
- PSA: 100.62
- LogP: 2.58640
p-toluidine sulphate 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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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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