Benzenesulfonamide,4-methyl-N-propyl- supplier

Name
N-Propyl-P-Toluenesulfonamide
EINECS
CAS No. 1133-12-6
Article Data32
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point 54-55 °C
Formula C₁₀H₁₅NO₂S
Boiling Point 325.5 °C at 760 mmHg
Molecular Weight 213.301
Flash Point 150.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Propyl-p-toluenesulfonamide;NSC 206125;N-Propyl-4-methylbenzenesulfonamide;4-Methyl-N-propylbenzenesulfonamide;p-Toluenesulfonamide,N-propyl- (7CI,8CI);
PSA 54.55000
LogP 3.15500

Benzenesulfonamide,4-methyl-N-propyl- Specification

The Benzenesulfonamide,4-methyl-N-propyl- is an organic compound with the formula C₁₀H₁₅NO₂S. The IUPAC name of this chemical is 4-methyl-N-propylbenzenesulfonamide. With the CAS registry number 1133-12-6, it is also named as p-Toluenesulfonamide, N-propyl-.

Physical properties about Benzenesulfonamide,4-methyl-N-propyl- are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.5; (4)ACD/BCF (pH 5.5): 46.38; (5)ACD/BCF (pH 7.4): 46.38; (6)ACD/KOC (pH 5.5): 542.44; (7)ACD/KOC (pH 7.4): 542.43; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 45.76 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 57.73 cm³; (14)Molar Volume: 189.3 cm³; (15)Polarizability: 22.88×10^-24cm³; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.126 g/cm³; (18)Flash Point: 150.7 °C; (19)Enthalpy of Vaporization: 56.77 kJ/mol; (20)Boiling Point: 325.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000229 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NCCC
(2)InChI: InChI=1/C10H15NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
(3)InChIKey: FGTLUYQJKVPUHM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H15NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
(5)Std. InChIKey: FGTLUYQJKVPUHM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953.

Product Name

N-Propyl-P-Toluenesulfonamide

Benzenesulfonamide,4-methyl-N-propyl- Specification

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