![C13H13LO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4h) -trone, 4-etyl-7,8-Dihydro-4- HYDROXY-, (4S) - (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1h-Pyrano [3,4-F] Indolizine-3,6,10 (4h) -Trione, 4-etyl-7-4 - 4- HYDROXY-, (4S) - (9CI, ACI) H319, H302 Featured ôfbylding](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13LO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4h) -trone, 4-etyl-7,8-Dihydro-4- HYDROXY-, (4S) - (9CI, ACI) H319, H302
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 263.25 | - |
| Melting Point (eksperiminteel) | 177.1-178.3 ° C | - |
| Siedend punt (foarsizze) | 666.6 ± 55,0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 1,50 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 11.20 ± 0.20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1c2 = c (c = c3c (= o) ccn13) c (o) (c (= o) oc2) cc
Isomeryske glimkes c (c) [c @] 1 (o) c2 = c (c (= o) n3c (= c2) c (= o) cc3) cc1 = o
Inchi
Inchi = 1s / c13h13no5 / c1-2-13 (18) 8-5-9-10 (15) 3-9-12 (9) 11 (16) 7 (8) 7 (8) 6 (16) 7 (1) 17 / H5,18H, 2-4,6H2,1H3 / T13- / M0 / S1
Inchi-kaai
Igkwogmvaoyvsj-zDUSSCGKSA-N
5 oare nammen foar dizze substansje
(4s) -4-etyl-7,8-dihydrro-4-hydroxy-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trone (aci); 1h-Pyrano [3,4-F] Indolizine-3,6,10 (4h) -trone, 4- ethyl-7,8-dihydrro-4-hydroxy-, (s) - (zci); (4s) -4-Ethyl-4-Hydroxy-7,8-DihyDro-1h-Pyrano [3,4-F] Indolizine-3,6,10 (4h) Trione; (4s) -4-ethyl-4-
Hydroxy-7 7,8-dihyDro-1h-Pyrano [3,4-F] Indolizine-3,6,10-Trione; (S) -4-etyl-4-hydroxy-7,8-dihyDro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -troney
| Eigenskippen beskikber |
| Optysk en fersprieding |
| Thermal |
Optysk en fersprieding
| Besit | Wearde | Betingst | Boarne |
| Optyske rottende krêft | +120.6 deg | c: 0.62 g / 100ml; Solvent: Chloroform | (1) ic |
| Optyske rottende krêft | +120.57 deg | c: 0.62 g / 100ml; Solvent: chloroform; Temp: 20 ° C | (2) ic |
| Optyske rottende krêft | +119.57 deg | c: 1,0 g / 100ml; Solvent: chloroform; λ: 589.3 nm; Temp: 25 ° C | (3) CAS |
| Optyske rottende krêft | +119.57 graden · ml / g · dm | c: 1,0 g / 100ml; Solvent: chloroform; λ: sodium d line; Temp: 25 ° C | (4) CAS |
| Optyske rottende krêft | +117.6 deg | c: 0,56 g / 100ml; Solvent: chloroform; Temp: 23 ° C | (5) ic |
| Optyske rottende krêft | +116.14 graden · ml / g · dm | c: 1,0 g / 100ml; Solvent: chloroform; λ: sodium d line; Temp: 26 ° C | (4) CAS |
| Optyske rottende krêft | +96 deg | c: 0,40 g / 100ml; Temp: 21 ° C | (6) IC |
| Optyske rottende krêft | +77.8 deg | c: 0.62 g / 100ml; Solvent: chloroform; λ: 589.3 nm; Temp: 25 ° C | (7) CAS |
(1) Terasawa, Hirofumi; Chemical & Pharmaceutical Bulletin, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin E.; Journal of Organic Chemistry, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Skiekunde - in Aziatyske tydskrift, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Journal of the Chemical Society, Perkin Transaksjes 1: Organic en Bio-organyske skiekunde (1972-1999), (1990) (1), 27-31, Caplus
(6) Wani, Mansukh C .; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Cima Acta, (2010), 93 (10), 2094-2099, Caplus
Thermal
| Besit | Wearde | Betingst | Boarne | |
| Melting Point | 183-185 ° C (Decomp) | (1) CAS | ||
| Melting Point | 177.1-178.3 ° C | (2) CAS | ||
| Melting Point | 176-177 ° C (Decomp) | (3) ic | ||
| Melting Point | 169-170 ° C | Solvent: | Ethyl Acetate | (4) ic |
(1) Kuang, Yun-Yan; Helvetica Cima Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin E.; Journal of Organic Chemistry, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Journal of the Chemical Society, Perkin Transaksjes 1: Organic en Bio-organyske skiekunde (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C .; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
Spectra te krijen
1h nmr
Mis
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
| Thermal |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 7.37 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 7; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 7.37 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.33 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 6.94 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | -0.96 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | -0.936 ± 0,842 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 371 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 392 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 371 g / l | Unbuffered wetter Ph 5.53; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1.41 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.41 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.41 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.41 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.41 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.41 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne | |
| Milarlabiliteit | 1.41 Mol / L | pH 6; Temp: 25 ° C | (1) ACD | |
| Milarlabiliteit | 1.41 Mol / L | pH 7; Temp: 25 ° C | (1) ACD | |
| Milarlabiliteit | 1.41 Mol / L | pH 8; Temp: 25 ° C | (1) ACD | |
| Milarlabiliteit | 1.41 Mol / L | pH 9; Temp: 25 ° C | (1) ACD | |
| Milarlabiliteit | 1.49 Mol / L | pH 10; Temp: 25 ° C | (1) ACD | |
| Milarlabiliteit | 1.41 Mol / L | Unbuffered wetter Ph 5.53; Temp: 25 ° C | (1) ACD | |
| Molekulêr gewicht | 263.25 | |||
| pka | 11.20 ± 0.20 | Meast Acidic Temp: 25 ° C | (1) ACD | |
| pka | -2.24 ± 0,40 | Meast basic temp: 25 ° C | (1) ACD | |
| Dampdruk | 1.29 x 10-20 | Torr | Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1,50 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 174,8 ± 5,0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 2 | (1) ACD | |
| H akseptearders | 6 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 7 | (1) ACD | |
| Logp | -0.936 ± 0,842 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 263.25 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 83.9 a2 | (1) ACD | |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Thermal
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 666.6 ± 55,0 ° C | Parse: 760 Torr | (1) ACD |
| Enthalpy fan Vaporization | 112.17 ± 6,0 kj / mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 357.0 ± 31.5 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR
| Koade | Gefaarferklearring | Boarne |
| H319 | Feroarsaket serieuze eachirritaasje | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
| H302 | Skealik as swalke | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
Fertroude bedriuwsynformaasje: Publyk
| Regulatory Synonyms | ||
| (S) -4-etyl-4-hydroxy-7,8-dihydrro-1h-pyranno (3,4-f) indolizine-3.6,10 (4h) -trione | - | Frânsk |
| (S) -4-etyl-4-hydroxy-7,8-dihyDro-1h-pyranno [3,4-f] indolizine-3,6,10 (4h) -trione | - | Frânsk |
| (S) -4-etyl-4-hydroxy-7,8-dihydrro-1h-pyrano (3,4-f) indolizin-3.6,10 (4h) -trie | - | Deensk, Dútsk |
| (S) -4-etyl-4-hydroxy-7,8-dihydrro-1h-pyrano (3,4-f) indolizine-3.6,10 (4h) -trie | - | Nederlânsk |
| (S) -4-etyl-4-hydroxy-7,8-dihydrro-1h-pyrano [3,4-f] indolizin-3.6,10 (4h) -trie | - | Deensk, Dútsk |
| (S) -4-etyl-4-hydroxy-7,8-dihydrro-1h-pyrano [3,4-f] indolizine-3.6,10 (4h) -trie | - | Nederlânsk |
| (S) -4-etyl-4-hydroxy-7,8-dihyDro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -troney | - | - |
| (S) -4-etil-4-hidroxi-7 7,8-dihidro-1h-pirano (3,4-f) indolizina-3,6,10 (4h) -trioona | - | Portugeesk, Spaansk |
| (S) -4-Etil-4-4-hidroxi-7,8-dihidro-1h-pirano [3,4-F] indolizina-3,6,10 (4h) -trioona | - | Portugeesk, Spaansk |
| (S) -4-Etil-4-Idrossi-7,8-Diidro-1h-Pirano (3,4-F) Indolizin-3,6,10 (4h) -trione | - | Italiaansk |
| (S) -4-Etil-4-Idrossi-7,8-Diidro-1h-Pirano [3,4-F] Indolizin-3,6,10 (4h) -trione | - | Italiaansk |
| (S) -4-etyl-4-Hydroxi-7,8-dihyDro-1h-pyrano (3,4-f) indolizin-3.6,10 (4h) -trie | - | Sweedsk |
| (S) -4-etyl-4-4-hydroxi-7,8-dihyDro-1h-pyrano [3,4-f] indolizin-3.6,10 (4h) -trie | - | Sweedsk |
| (S) -4-etyyli-4-hydroksdei-7,8-dihydrro-1h-pyrano (3,4-f) indolitsiini-3,6,10 (4h) -treiwie | - | Finsk |
| (S) -4-etyyli-4-hydroksdei-7,8-dihyDro-1h-Pyrano [3,4-F] Indolitsiini-3,6,10 (4h) -triojon | - | Finsk |
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