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CAS No.: | 10066-90-7 |
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Name: | 4-ACETAMINOPHEN SULFATE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H9NO5S |
Molecular Weight: | 231.229 |
Synonyms: | Acetanilide,4'-hydroxy-,hydrogen sulfate (7CI);Acetanilide,4'-hydroxy-,hydrogen sulfate(ester) (8CI);4-Hydroxyacetanilide sulfate;Acetaminophen sulfate;N-Acetyl-4-aminophenol sulfate;N-Acetyl-p-aminophenyl sulfate;Paracetamol O-sulfate;Paracetamolsulfate; |
Density: | 1.556 g/cm3 |
Melting Point: | 170°C (dec.) |
PSA: | 101.08000 |
LogP: | 1.98040 |
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The CAS registry number of Acetamide,N-[4-(sulfooxy)phenyl]- is 10066-90-7. The IUPAC name is (4-acetamidophenyl) hydrogen sulfate. In addition, the molecular formula is C8H9NO5S and the molecular weight is 231.23. It belongs to the classes of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Sulfur & Selenium Compounds. And it should be stored in a cool and dry place.
Physical properties about Acetamide,N-[4-(sulfooxy)phenyl]- are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): -3.3; (3)ACD/LogD (pH 7.4): -3.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 81.29 Å2; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 51.86 cm3; (14)Molar Volume: 148.5 cm3; (15)Polarizability: 20.56 ×10-24cm3; (16)Surface Tension: 68.7 dyne/cm; (17)Density: 1.556 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Oc1ccc(cc1)NC(=O)C)O
(2)InChI: InChI=1/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
(3)InChIKey: IGTYILLPRJOVFY-UHFFFAOYAN