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CAS No.: | 24601-74-9 |
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Name: | (S)-4-ISOPROPYLOXAZOLIDINE-2,5-DIONE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H9NO3 |
Molecular Weight: | 143.142 |
Synonyms: | (4S)-4-Isopropyl-1,3-oxazolidine-2,5-dione;2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-; |
EINECS: | 221-692-2 |
Density: | 1.184 g/cm3 |
Melting Point: | 70-71°C |
Safety: | 22-24/25 |
PSA: | 55.40000 |
LogP: | 0.60620 |
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The CAS registry number of (S)-4-Isopropyloxazolidine-2,5-dione is 24601-74-9. The IUPAC name is (4S)-4-(1-methylethyl)-1,3-oxazolidine-2,5-dione. In addition, the molecular formula is C6H9NO3 and the molecular weight is 143.14. It is a kind of white solid and belongs to the classes of Aminoacids Derivatives; Amino Acids 13C, 2H, 15N; Amino Acids; Derivatives; Chiral Reagents; Heterocycles.
Physical properties about (S)-4-Isopropyloxazolidine-2,5-dione are: (1)ACD/LogP: 0.78; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 44; (5)ACD/KOC (pH 7.4): 43; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.4 Å2; (10)Index of Refraction: 1.457; (11)Molar Refractivity: 32.914 cm3; (12)Molar Volume: 120.897 cm3; (13)Polarizability: 13.048 ×10-24cm3; (14)Surface Tension: 35.709 dyne/cm; (15)Density: 1.184 g/cm3.
When you are using this chemical, please be cautious about it as the following:
During using it, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). And you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)N[C@H]1C(C)C
(2)InChI: InChI=1/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)/t4-/m0/s1
(3)InChIKey: XNCNNYXFGGTEMT-BYPYZUCNBW