Cas no 74319-86-1 (Benzenesulfonic acid, 4-amino-2,3-dimethyl-)
74319-86-1 structure
Product Name:Benzenesulfonic acid, 4-amino-2,3-dimethyl-
CAS No:74319-86-1
MF:C8H11NO3S
MW:201.242841005325
CID:541207
PubChem ID:12580747
Update Time:2025-04-19
Benzenesulfonic acid, 4-amino-2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 4-amino-2,3-dimethyl-
- 4-amino-2,3-dimethylbenzenesulfonic acid
- 74319-86-1
- DTXSID30503271
- SCHEMBL11689305
- p-Xylidinsulfosaure
- 4-Amino-2,3-dimethylbenzene-1-sulfonic acid
-
- Inchi: 1S/C8H11NO3S/c1-5-6(2)8(13(10,11)12)4-3-7(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
- InChI Key: KFVCGCYALLDNBH-UHFFFAOYSA-N
- SMILES: S(C1=CC=C(C(C)=C1C)N)(=O)(=O)O
Computed Properties
- Exact Mass: 201.04596439g/mol
- Monoisotopic Mass: 201.04596439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 88.8?2
Benzenesulfonic acid, 4-amino-2,3-dimethyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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