Cas no 94441-91-5 (Benzene-1,4-diamine (4-methylbenzenesulphonate))
94441-91-5 structure
Product Name:Benzene-1,4-diamine (4-methylbenzenesulphonate)
CAS No:94441-91-5
MF:C13H16N2O3S
MW:280.342741966248
CID:807679
PubChem ID:21219308
Update Time:2025-04-19
Benzene-1,4-diamine (4-methylbenzenesulphonate) Chemical and Physical Properties
Names and Identifiers
-
- Benzene-1,4-diamine (4-methylbenzenesulphonate)
- BENZENE-1,4-DIAMINE (4-METHYLBENZENESULFONATE)
- benzene-1,4-diamine,4-methylbenzenesulfonic acid
- 4-Methylbenzene-1-sulfonic acid--benzene-1,4-diamine (1/1)
- Benzene-1,4-diamine(4-methylbenzenesulfonate)
- DTXSID20915526
- EINECS 305-317-0
- 94441-91-5
- NS00092929
- SCHEMBL8421197
-
- Inchi： 1S/C7H8O3S.C6H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-1-2-6(8)4-3-5/h2-5H,1H3,(H,8,9,10);1-4H,7-8H2
- InChI Key： IZTQDNPOJDAVTP-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.NC1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 280.08816355g/mol
- Monoisotopic Mass: 280.08816355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 261
- 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: 115?2
Experimental Properties
- Boiling Point: 542.9°Cat760mmHg
- Flash Point: 282.2°C
Benzene-1,4-diamine (4-methylbenzenesulphonate) Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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