-
Name
ethanesulfonic acid - 4-{[3-(4-aminophenyl)propanoyl]amino}benzenesulfonyl fluoride (1:1)
- EINECS
- CAS No. 19188-74-0
- Density
- Solubility
- Melting Point
- Formula C17H21FN2O6S2
- Boiling Point 559.4 °C at 760 mmHg
- Molecular Weight 432.4868
- Flash Point 292.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Ethanesulfonic acid - 4-{[3-(4-aminophenyl)propanoyl]amino}benzenesulfonyl fluoride (1:1);
- PSA
- LogP
4-[3-(4-Aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Specification
The 4-[3-(4-Aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid, with the CAS registry number 19188-74-0, is also known as Ethanesulfonic acid - 4-{[3-(4-aminophenyl)propanoyl]amino}benzenesulfonyl fluoride (1:1). This chemical's molecular formula is C17H21FN2O6S2 and molecular weight is 432.4868. What's more, its IUPAC name is 4-[3-(4-Aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid.
Physical properties about 4-[3-(4-Aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 66.07 Å2; (7)Flash Point: 292.1 °C; (8)Enthalpy of Vaporization: 84.17 kJ/mol; (9)Boiling Point: 559.4 °C at 760 mmHg; (10)Vapour Pressure: 1.52E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)CC.FS(=O)(=O)c1ccc(cc1)NC(=O)CCc2ccc(N)cc2
(2) InChI: InChI=1/C15H15FN2O3S.C2H6O3S/c16-22(20,21)14-8-6-13(7-9-14)18-15(19)10-3-11-1-4-12(17)5-2-11;1-2-6(3,4)5/h1-2,4-9H,3,10,17H2,(H,18,19);2H2,1H3,(H,3,4,5)
(3) InChIKey: PWTCASUXWIITJY-UHFFFAOYAC
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