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| CAS No.: | 203313-25-1 |
|---|---|
| Name: | SPIROTETRAMAT |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C21H27NO5 |
| Molecular Weight: | 373.449 |
| Synonyms: | (5s,8s)-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate; |
| EINECS: | 606-523-6 |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 560.962ºC at 760 mmHg |
| Flash Point: | 293.06ºC |
| Hazard Symbols: | Xi |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 73.86000 |
| LogP: | 3.97400 |
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Specification
The Spirotetramat, with the CAS registry number 203313-25-1, is also known as Carbonic acid,cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester. What's more, this chemical's molecular formula is C21H27NO5 and molecular weight is 373.45.
Physical properties about Spirotetramat are: (1)ACD/LogP: 4.592; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1820.25; (6)ACD/BCF (pH 7.4): 1820.10; (7)ACD/KOC (pH 5.5): 7502.36; (8)ACD/KOC (pH 7.4): 7501.75; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 73.86 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 100.65 cm3; (15)Molar Volume: 310.7 cm3; (16) Polarizability: 39.9×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 293.1 °C; (20)Enthalpy of Vaporization: 84.37 kJ/mol; (21)Boiling Point: 561 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)O\C2=C(\C(=O)N[C@]12CC[C@@H](CC1)OC)c3cc(C)ccc3C
(2) InChI: InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)/t15-,21+
(3) InChIKey: CLSVJBIHYWPGQY-GGYDESQDSA-N