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Name |
Benzoic acid,4-[(diethylamino)sulfonyl]- |
EINECS | 214-925-4 |
CAS No. | 1213-06-5 | Density | 1.283 g/cm3 |
PSA | 83.06000 | LogP | 2.49610 |
Solubility | N/A | Melting Point |
192-194° (with turbidity) |
Formula | C11H15NO4S | Boiling Point | 416.5 °C at 760 mmHg |
Molecular Weight | 257.31 | Flash Point | 205.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzoicacid, p-(diethylsulfamoyl)- (6CI,7CI,8CI);4-Carboxy-N,N-diethylbenzenesulfonamide;4-Diethylsulfamoylbenzoic acid;4-[(Diethylamino)sulfonyl]benzoic acid;Etamid;Etebenecid;Ethamide;Ethebenecid;Ethebenecide;Longacid;N,N-Diethyl-p-sulfamoylbenzoic acid;NSC49467;Urelim;p-(Diethylsulfamoyl)benzoic acid;p-Carboxy-N,N-diethylbenzenesulfonamide;p-Diethylsulfamylbenzoic acid; |
Article Data | 11 |
The Benzoic acid,4-[(diethylamino)sulfonyl]-, with the CAS registry number 1213-06-5, is also known as 4-[(Diethylamino)sulfonyl]benzoic acid. This chemical's molecular formula is C11H15NO4S and molecular weight is 257.31. What's more, its systematic name is 4-(Diethylsulfamoyl)benzoic acid and its EINECS number is 214-925-4. Besides, its classification code is Drug / Therapeutic Agent.
Physical properties of Benzoic acid,4-[(diethylamino)sulfonyl]- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.06 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 64.24 cm3; (15)Molar Volume: 200.5 cm3; (16)Polarizability: 25.46×10-24 cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 205.7 °C; (20)Enthalpy of Vaporization: 70.61 kJ/mol; (21)Boiling Point: 416.5 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
(2)InChI: InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
(3)InChIKey: UACOQEQOBAQRDQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intraperitoneal | 96 mg/kg (96 mg/kg) | Pharmazie. Vol. 38, Pg. 102, 1983. |