Benzenepropanoic acid,4-(aminosulfonyl)- supplier

Name
3-(4-SULFAMOYL-PHENYL)-PROPIONIC ACID
EINECS
CAS No. 90610-69-8
Article Data2
CAS DataBase
Density 1.412 g/cm³
Solubility
Melting Point 164-166 °C
Formula C₉H₁₁NO₄S
Boiling Point 459 °C at 760 mmHg
Molecular Weight 229.257
Flash Point 231.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Hydrocinnamicacid, p-sulfamoyl- (7CI);3-(4-Sulfamoylphenyl)propionic acid;
PSA 105.84000
LogP 2.13230

Benzenepropanoic acid,4-(aminosulfonyl)- Specification

The Benzenepropanoic acid,4-(aminosulfonyl)-, with the CAS registry number 90610-69-8, is also known as 3-[4-(Aminosulphonyl)phenyl]propanoic acid. It belongs to the product categories of Blocks; Carboxes; Sulfonamides. This chemical's molecular formula is C₉H₁₁NO₄S and molecular weight is 229.25. What's more, both its IUPAC name and systematic name are the same which is called 3-(4-Sulfamoylphenyl)propanoic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenepropanoic acid,4-(aminosulfonyl)- are: (1) ACD/LogP: -0.05; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.08; (4) ACD/LogD (pH 7.4): -2.88; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 2.11; (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 Å²; (13) Index of Refraction: 1.589; (14) Molar Refractivity: 54.72 cm³; (15) Molar Volume: 162.3 cm³; (16) Surface Tension: 60.9 dyne/cm; (17) Density: 1.412 g/cm³; (18) Flash Point: 231.4 °C; (19) Enthalpy of Vaporization: 75.81 kJ/mol; (20) Boiling Point: 459 °C at 760 mmHg; (21) Vapour Pressure: 3.2E-09 mmHg at 25 °C; (22) Melting Point: 164-166 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)CCC(=O)O)N
(2) InChI: InChI=1/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
(3) InChIKey: JUEONDBIBADVGD-UHFFFAOYAN

Product Name

3-(4-SULFAMOYL-PHENYL)-PROPIONIC ACID

Benzenepropanoic acid,4-(aminosulfonyl)- Specification

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