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CAS No.: | 35303-76-5 |
---|---|
Name: | 4-(2-Aminoethyl)benzenesulfonamide |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H12N2O2S |
Molecular Weight: | 200.261 |
Synonyms: | Benzenesulfonamide,p-(2-aminoethyl)- (5CI);2-(4-Sulfamoylphenyl)ethylamine;2-[4-(Aminosulfonyl)phenyl]ethylamine;4-(Aminosulfonyl)phenethylamine;4-Sulfamoylphenethylamine;p-(2-Aminoethyl)benzenesulfonamide;p-Aminoethyl-benzenesulfonamide; |
EINECS: | 252-501-0 |
Density: | 1.293 g/cm3 |
Melting Point: | 150-152 °C(lit.) |
Boiling Point: | 387.4 °C at 760 mmHg |
Flash Point: | 188.1 °C |
Solubility: | 15.5g/L at 20℃ |
Appearance: | white to yellowish crystalline powder powder |
Hazard Symbols: | C |
Risk Codes: | 22-34 |
Safety: | 26-36/37/39-45 |
PSA: | 94.56000 |
LogP: | 2.31660 |
4-cyanomethyl-benzenesulfonic acid amide
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
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With sodium methylate; nickel In methanol at 45℃; Electrochemical reaction; | 86% |
4-(β-acetylaminoethyl)phenylsulfonamide
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
---|---|
With sodium hydroxide; water for 3h; Reflux; | 78% |
With hydrogenchloride |
4-(2-carboxyethyl)-benzenesulfonamide
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
---|---|
With pyridine; thionyl chloride; chloroform Behandeln des Reaktionsprodukts mit Natriumazid in wss. Aceton und Erwaermen des erhaltenen Azids in Benzol; |
4-sulfamoyl-trans-cinnamic acid
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
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Multi-step reaction with 2 steps 1: aqueous NaOH-solution; sodium-amalgam 2: thionyl chloride; chloroform; pyridine / Behandeln des Reaktionsprodukts mit Natriumazid in wss. Aceton und Erwaermen des erhaltenen Azids in Benzol View Scheme |
methyl-N-(benzyl-methyl)-formamide
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
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Multi-step reaction with 3 steps 1: chlorosulfuric acid 2: aqueous ammonia 3: aqueous hydrochloric acid View Scheme |
sulfonyl chloride
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aqueous ammonia 2: aqueous hydrochloric acid View Scheme |
4-ethylpyrazole-1-carboxylic acid chloride
cyclopentyl isocyanate
B
4-(2-aminoethyl)benzenesulfonamide
3,5-dimethyl-4-chloropyrazole-1-carboxylic acid chloride
B
4-(2-aminoethyl)benzenesulfonamide
phenethylamine
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: pyridine / tetrahydrofuran / 4 h / 20 °C / Cooling with ice 2: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice 3: ammonium hydroxide / acetone / 20 °C View Scheme |
2,2,2-trifluoro-N-(2-phenylethyl)acetamide
4-(2-aminoethyl)benzenesulfonamide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice 2: ammonium hydroxide / acetone / 20 °C View Scheme |
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The 4-(2-Aminoethyl)benzenesulfonamide, with the CAS registry number 35303-76-5 and EINECS registry number 252-501-0, and belongs to the following product categories: Sulfonamide; Benzene derivates; (Intermediate of glibenclamide,glipizide,gliquido; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds. It is a kind of white to yellowish crystalline powder, and its molecular formula is C8H12N2O2S.
The physical properties of 4-(2-Aminoethyl)benzenesulfonamide are as followings: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.48; (4)ACD/LogD (pH 7.4): -2.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 52.07 cm3; (15)Molar Volume: 154.8 cm3; (16)Polarizability: 20.64×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 188.1 °C; (20)Enthalpy of Vaporization: 63.64 kJ/mol; (21)Boiling Point: 387.4 °C at 760 mmHg; (22)Vapour Pressure: 3.31E-06 mmHg at 25°C.
Uses of 4-(2-Aminoethyl)benzenesulfonamide: It can react with naphthalen-1-yl-acetyl chloride to produce p-[2-(a-naphthylacetamido)ethyl]benzenesulphonamide. This reaction will need reagent benzene. The reaction time is 4 hours with heating, and the yield is about 68%.
You should be cautious while dealing with this chemical. It is harmful if swallowed, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)CCN)N
(2)InChI: InChI=1/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
(3)InChIKey: FXNSVEQMUYPYJS-UHFFFAOYAP