Cas no 57824-29-0 (Benzenesulfonamide, 4-amino-N,N-dimethyl-3-nitro-)
57824-29-0 structure
Product Name:Benzenesulfonamide, 4-amino-N,N-dimethyl-3-nitro-
CAS No:57824-29-0
MF:C8H11N3O4S
MW:245.255640268326
CID:386216
PubChem ID:341385
Update Time:2025-04-19
Benzenesulfonamide, 4-amino-N,N-dimethyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-amino-N,N-dimethyl-3-nitro-
- 4-amino-N,N-dimethyl-3-nitrobenzenesulfonamide
- 1-amino-2-nitrobenzene-4-sulphonic acid dimethylamide
- 2-Nitro-4-dimethylsulfamoylanilin
- 4-amino-3-nitro-N,N-dimethylbenzenesulphonamide
- AC1L7TV9
- CBDivE_013529
- CTK1H4891
- HMS2885E22
- NSC373427
- SureCN5766439
- AB00075930-01
- NSC-373427
- CHEMBL1482208
- 4-AMINO-N,N-DIMETHYL-3-NITROBENZENE-1-SULFONAMIDE
- MLS000757123
- Cambridge id 5228161
- SMR000529005
- DTXSID10321298
- SCHEMBL5766439
- AKOS000592831
- 57824-29-0
-
- Inchi： 1S/C8H11N3O4S/c1-10(2)16(14,15)6-3-4-7(9)8(5-6)11(12)13/h3-5H,9H2,1-2H3
- InChI Key： QUBSAGHTZIZCBS-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C=1)[N+](=O)[O-])N)(N(C)C)(=O)=O
Computed Properties
- Exact Mass: 245.04713
- Monoisotopic Mass: 245.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 357
- 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: 0.4
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.45
- Boiling Point: 425°C at 760 mmHg
- Flash Point: 210.8°C
- Refractive Index: 1.606
- PSA: 106.54
- LogP: 2.61250
Benzenesulfonamide, 4-amino-N,N-dimethyl-3-nitro- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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