Benzenesulfonamide,4-[(phenylmethyl)amino]- supplier

Name
benzylsulfamide
EINECS 203-186-3
CAS No. 104-22-3
Article Data15
CAS DataBase
Density 1.321 g/cm³
Solubility
Melting Point 175°
Formula C₁₃H₁₄N₂O₂S
Boiling Point 465 °C at 760 mmHg
Molecular Weight 262.332
Flash Point 235 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sulfanilamide,N4-benzyl- (6CI,7CI,8CI);46 R.P.;46RP;Benzylsulfamide;Chemodyn;B.125;M. and B. 125;N4-Benzylsulfanilamide;Proseptasine;Proseptazine;RP 46;Septasin;Septazine;Setazine;p-(Benzylamino)benzenesulfonamide;
PSA 80.57000
LogP 3.80020

Benzenesulfonamide,4-[(phenylmethyl)amino]- Specification

The CAS registry number of Benzenesulfonamide,4-[(phenylmethyl)amino]- is 104-22-3. This chemical is also named as 4-(Benzylamino)benzenesulfonamide. The EINECS registry number of it is 203-186-3. In addition, its molecular formula is C₁₃H₁₄N₂O₂S and molecular weight is 262.3275. Its systematic name and IUPAC name are the same which is called 4-amino-N-benzylbenzenesulfonamide. This chemical's classification codes are Drug; Therapeutic agent.

Physical properties about Benzenesulfonamide,4-[(phenylmethyl)amino]- are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.91; (6)ACD/BCF (pH 7.4): 9.9; (7)ACD/KOC (pH 5.5): 179.72; (8)ACD/KOC (pH 7.4): 179.58; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 72.18 cm³; (14)Molar Volume: 198.5 cm³; (15)Surface Tension: 60.3 dyne/cm; (16)Density: 1.321 g/cm³; (17)Flash Point: 235 °C; (18)Enthalpy of Vaporization: 72.65 kJ/mol; (19)Boiling Point: 465 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2ccc(NCc1ccccc1)cc2)N
(2)InChI: InChI=1/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
(3)InChIKey: HLIBJQGJVDHCNB-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 45gm/kg (45000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 65, Pg. 405, 1939.
rabbit	LDLo	oral	5gm/kg (5000mg/kg)		Journal of Chemotherapy and Advanced Therapeutics. Vol. 14, Pg. 91, 1938.

Product Name

benzylsulfamide

Benzenesulfonamide,4-[(phenylmethyl)amino]- Specification

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