3-CARBOXYPROPANESULFONAMIDE

The 4-Sulfamoylbutyric acid, with the CAS registry number of 175476-52-5, is also known as 3-Carboxypropanesulphonamide. It belongs to the product categories of Blocks; Carboxes; Sulfonamides; Nitric Oxide Reagents; Cross Linking Reagents; Sulfur & Selenium Compounds. This chemical's molecular formula is C₄H₉NO₄S and molecular weight is 167.18. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4-Sulfamoylbutyric acid are: (1)ACD/LogP: -1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.29; (4)ACD/LogD (pH 7.4): -4.09; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.06 Ų; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 34.65 cm³; (15)Molar Volume: 113.8 cm³; (16)Surface Tension: 66.5 dyne/cm; (17)Density: 1.467 g/cm³; (18)Flash Point: 207.6 °C; (19)Enthalpy of Vaporization: 73.86 kJ/mol; (20)Boiling Point: 419.6 °C at 760 mmHg; (21)Vapour Pressure: 3.23E-08 mmHg at 25 °C.

Preparation: this chemical is prepared by 4-Sulfamoyl-butyric acid methyl ester. The reaction needs reagent KOH. The reaction time is 4 hours. The yield is about 85 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(O)CCCS(=O)(=O)N
(2) InChI:InChI=1/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9)
(3) InChIKey:OMPGKWICGUBROA-UHFFFAOYAA