![C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-ethyl-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-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, Hoton da aka Fito H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 263.25 | - |
| Wurin narkewa (Gwaji) | 177.1-178.3 °C | - |
| Wurin tafasa (An annabta) | 666.6±55.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.50± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 11.20± 0.20 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomeric SMILES C (C)[C@] 1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
InChi
InChi=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/ h5,18H,2-4,6H2,1H3/t13-/m0/s1
InChi Key
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Wasu Sunaye na wannan Abu
(4S) -4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) -trione (ACI); 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4- ethyl-7,8-dihydro-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-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10-trione; (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizine-3,6,10 (4H) -trione
| Properties akwai |
| Na gani da Watsawa |
| Thermal |
Na gani da Watsawa
| Dukiya | Daraja | Sharadi | Source |
| Ƙarfin Juyawar gani | + 120.6 digiri | c: 0.62 g/100ml; Mai narkewa: Chloroform | (1) IC |
| Ƙarfin Juyawar gani | + 120.57 digiri | c: 0.62 g/100ml; Mai narkewa: Chloroform; Zazzabi: 20 ° C | (2) IC |
| Ƙarfin Juyawar gani | + 119.57 digiri | c: 1.0 g/100ml; Mai narkewa: Chloroform; girman: 589.3 nm; Zazzabi: 25 ° C | (3) CAS |
| Ƙarfin Juyawar gani | + 119.57 digiri · ml/gdm | c: 1.0 g/100ml; Mai narkewa: Chloroform; λ: layin sodium D; Zazzabi: 25 ° C | (4) CAS |
| Ƙarfin Juyawar gani | + 117.6 digiri | c: 0.56 g/100ml; Mai narkewa: Chloroform; Zazzabi: 23 ° C | (5) IC |
| Ƙarfin Juyawar gani | + 116.14 digiri · ml/gdm | c: 1.0 g/100ml; Mai narkewa: Chloroform; λ: layin sodium D; Zazzabi: 26 ° C | (4) CAS |
| Ƙarfin Juyawar gani | + 96 digiri | c: 0.40 g/100ml; Zazzabi: 21 ° C | (6) IC |
| Ƙarfin Juyawar gani | + 77.8 digiri | c: 0.62 g/100ml; Mai narkewa: Chloroform; girman: 589.3 nm; Zazzabi: 25 ° C | (7) CAS |
(1) Terasawa, Hirofumi; Bayanan Kimiyya & Magunguna, (1989), 37 (12), 3382-5, CAplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.; Jaridar Organic Chemistry, (1997), 62 (19), 6588-6597, CAplus
(4) Watanabe, Tatsuya; Chemistry - Jarida ta Asiya, (2013), 8(3), 630-638, CAplus
(5) Ejima, Akio; Journal of the Chemical Society, Perkin Ma'amaloli 1: Organic da Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, CAplus
(6) Wani, Mansukh C.; Jaridar Magungunan Chemistry, (1987), 30 (12), 2317-19, CAplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
Thermal
| Dukiya | Daraja | Sharadi | Source | |
| Matsayin narkewa | 183-185 ° C (decomp) | (1) CAS | ||
| Matsayin narkewa | 177.1-178.3 °C | (2) CAS | ||
| Matsayin narkewa | 176-177 ° C (decomp) | (3) IC | ||
| Matsayin narkewa | 169-170 ° C | Mai narkewa: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
(2) Henegar, Kevin E.; Jaridar Organic Chemistry, (1997), 62 (19), 6588-6597, CAplus
(3) Ejima, Akio; Journal of the Chemical Society, Perkin Ma'amaloli 1: Organic da Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, CAplus
(4) Wani, Mansukh C.; Jaridar Magungunan Chemistry, (1987), 30 (12), 2317-19, CAplus
Spectra akwai
1H NMR
Mass
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1.0 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 7.37 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.37 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.37 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.37 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.37 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.37 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.37 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Koc | 7.37 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.33 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6.94 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.94 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.96 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | -0.936± 0.842 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 371 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 392 g/l | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 371 g/L | Ruwan da ba a buƙata ba pH 5.53; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 1.41 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.41 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.41 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.41 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.41 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.41 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source | |
| Solubility na Molar | 1.41 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD | |
| Solubility na Molar | 1.41 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD | |
| Solubility na Molar | 1.41 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD | |
| Solubility na Molar | 1.41 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD | |
| Solubility na Molar | 1.49 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD | |
| Solubility na Molar | 1.41 mol/L | Ruwan da ba a buƙata ba pH 5.53; Zazzabi: 25 ° C | (1) ACD | |
| Nauyin Kwayoyin Halitta | 263.25 | |||
| pKa | 11.20± 0.20 | Mafi yawan zafin jiki: 25 ° C | (1) ACD | |
| pKa | -2.24±0.40 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD | |
| Ruwan Ruwa | 1.29 x 10-20 | Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.50± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 174.8± 5.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 2 | (1) ACD | |
| H Masu karɓa | 6 | (1) ACD | |
| H Masu Ba da taimako | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 7 | (1) ACD | |
| logP | -0.936± 0.842 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 263.25 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 83.9 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Wurin Tafasa | 666.6±55.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 112.17± 6.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 357.0± 31.5 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
| Lambar | Bayanin Hazard | Source |
| H319 | Yana haifar da tsananin haushin ido | Ƙididdiga & Lakabi na Ƙungiyar Turai (ECHA) Rarraba & Lakabi - Sanarwa Rabewa da Lakabi - sanarwar da aka fi sani, Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) Rarraba & Lakabin Lakabi - Faɗakarwa da lakabi - sanarwa mafi mahimmanci |
| H302 | Mai cutarwa idan an hadiye shi | Ƙididdiga & Lakabi na Ƙungiyar Turai (ECHA) Rarraba & Lakabi - Sanarwa Rabewa da Lakabi - sanarwar da aka fi sani, Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) Rarraba & Lakabin Lakabi - Faɗakarwa da lakabi - sanarwa mafi mahimmanci |
Bayanan Kasuwanci na Sirri: Jama'a
| Ma'anar Daidaitawa | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H) -trione | - | Faransanci |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f] indolizine-3,6,10(4H) -trione | - | Faransanci |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Danish, Jamus |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H) -trion | - | Yaren mutanen Holland |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizin-3,6,10(4H) -trion | - | Danish, Jamus |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizine-3,6,10(4H) -trion | - | Yaren mutanen Holland |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizine-3,6,10(4H) -trione | - | - |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | Fotigal, Sifen |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Fotigal, Sifen |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Italiyanci |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H) -trione | - | Italiyanci |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Yaren mutanen Sweden |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f] indolizin-3,6,10(4H) -trion | - | Yaren mutanen Sweden |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Finnish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Finnish |
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