Molecular Formula: C9H13NO2S
Molar mass: 199.27 g/mol
EINECS: 209-971-7
Density: 1.163 g/cm3
Flash Point: 134 °C
Index of Refraction: 1.535
Boiling Point: 298 °C at 760 mmHg
Product categories of N,N-Dimethyl p-toluenesulfonamide (599-69-9): Piloty's acid
Structure of N,N-Dimethyl p-toluenesulfonamide (599-69-9):
XLogP3-AA: 2.9
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name: N,N,4-Trimethylbenzenesulfonamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI: InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3
InChIKey: WZKOKGOAHBIPCI-UHFFFAOYSA-N
1. | orl-rat LDLo:500 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.
N,N-Dimethyl p-toluenesulfonamide (599-69-9) also can be called N1,N1,4-trimethylbenzene-1-sulfonamide ; 4,N,N-Trimethyl-benzenesulfonamide ; Benzenesulfonamide, N,N-dimethyl-4-methyl- (9CI) ; N,N,4-trimethylbenzenesulfonamide .
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