![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, Aworan ifihan 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
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 263.25 | - |
| Ibi Iyọ (Ayẹwo) | 177,1-178,3 °C | - |
| Oju Ise (Asọtẹlẹ) | 666,6 ± 55,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,50 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 11.20 ± 0.20 | Pupọ Epo otutu: 25 °C |
SILES Canonical 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 Awọn orukọ miiran fun nkan yii
(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
| Awọn ohun-ini ti o wa |
| Opitika ati tuka |
| Gbona |
Opitika ati tuka
| Ohun ini | Iye | Ipo | Orisun |
| Opitika Yiyi Power | + 120,6 iwọn | c: 0.62 g/100ml; Ohun elo: Chloroform | (1) IC |
| Opitika Yiyi Power | + 120,57 iwọn | c: 0.62 g/100ml; Ohun elo: Chloroform; Iwọn otutu: 20 °C | (2) IC |
| Opitika Yiyi Power | + 119,57 iwọn | c: 1.0 g/100ml; Ohun elo: Chloroform; λ: 589.3 nm; Iwọn otutu: 25 °C | (3) CAS |
| Opitika Yiyi Power | + 119,57 iwọn · milimita / gdm | c: 1.0 g/100ml; Ohun elo: Chloroform; λ: Sodium D ila; Iwọn otutu: 25 °C | (4) CAS |
| Opitika Yiyi Power | + 117,6 iwọn | c: 0.56 g/100ml; Ohun elo: Chloroform; Iwọn otutu: 23 °C | (5) IC |
| Opitika Yiyi Power | + 116,14 iwọn · milimita / gdm | c: 1.0 g/100ml; Ohun elo: Chloroform; λ: Sodium D ila; Iwọn otutu: 26 °C | (4) CAS |
| Opitika Yiyi Power | + 96 iwọn | c: 0.40 g/100ml; Iwọn otutu: 21 °C | (6) IC |
| Opitika Yiyi Power | + 77,8 iwọn | c: 0.62 g/100ml; Ohun elo: Chloroform; λ: 589.3 nm; Iwọn otutu: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi; Kemikali & Iwe itẹjade oogun, (1989), 37 (12), 3382-5, CAplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.; Iwe akọọlẹ ti Kemistri Organic, (1997), 62 (19), 6588-6597, CAplus
(4) Watanabe, Tatsuya; Kemistri - Iwe akọọlẹ Asia kan, (2013), 8 (3), 630-638, CAplus
(5) Ejima, Akio; Iwe akosile ti Ẹgbẹ Kemikali, Awọn iṣowo Perkin 1: Kemistri Organic ati Bio-Organic (1972-1999), (1990) (1), 27-31, CAplus
(6) Wani, Mansukh C.; Iwe akosile ti Kemistri Oogun, (1987), 30 (12), 2317-19, CAplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
Gbona
| Ohun ini | Iye | Ipo | Orisun | |
| Ojuami Iyo | 183-185 °C (decomp) | (1) CAS | ||
| Ojuami Iyo | 177,1-178,3 °C | (2) CAS | ||
| Ojuami Iyo | 176-177 °C (decomp) | (3) IC | ||
| Ojuami Iyo | 169-170 °C | Yiyọ: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
(2) Henegar, Kevin E.; Iwe akọọlẹ ti Kemistri Organic, (1997), 62 (19), 6588-6597, CAplus
(3) Ejima, Akio; Iwe akosile ti Ẹgbẹ Kemikali, Awọn iṣowo Perkin 1: Kemistri Organic ati Bio-Organic (1972-1999), (1990) (1), 27-31, CAplus
(4) Wani, Mansukh C.; Iwe akosile ti Kemistri Oogun, (1987), 30 (12), 2317-19, CAplus
Spectra wa
1H NMR
Ibi
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
| Gbona |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 7.37 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 7.37 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.94 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.96 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | -0,936 ± 0.842 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isolubu Agbekale | 371 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 392 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 371 g/L | Omi ti a ko fi silẹ pH 5.53; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1.41 milimita / L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.41 milimita / L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.41 milimita / L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.41 milimita / L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.41 milimita / L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.41 milimita / L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun | |
| Solubility Molar | 1.41 milimita / L | pH 6; Iwọn otutu: 25 °C | (1) ACD | |
| Solubility Molar | 1.41 milimita / L | pH 7; Iwọn otutu: 25 °C | (1) ACD | |
| Solubility Molar | 1.41 milimita / L | pH 8; Iwọn otutu: 25 °C | (1) ACD | |
| Solubility Molar | 1.41 milimita / L | pH 9; Iwọn otutu: 25 °C | (1) ACD | |
| Solubility Molar | 1.49 milimita / L | pH 10; Iwọn otutu: 25 °C | (1) ACD | |
| Solubility Molar | 1.41 milimita / L | Omi ti a ko fi silẹ pH 5.53; Iwọn otutu: 25 °C | (1) ACD | |
| Òṣuwọn Molikula | 263.25 | |||
| pKa | 11.20 ± 0.20 | Pupọ Epo otutu: 25 °C | (1) ACD | |
| pKa | -2.24± 0.40 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD | |
| Oru Ipa | 1,29 x 10-20 | Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,50 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 174,8 ± 5,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 2 | (1) ACD | |
| H Awọn olugba | 6 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 7 | (1) ACD | |
| logP | -0,936 ± 0.842 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 263.25 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 83.9 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami farabale | 666,6 ± 55,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 112,17 ± 6,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 357,0 ± 31,5 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
| Koodu | Gbólóhùn ewu | Orisun |
| H319 | O fa ibinu oju pataki | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
| H302 | Ipalara ti o ba gbemi | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
Asiri Business Alaye: Public
| Awọn Synonyms ilana | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H) -trione | - | Faranse |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f] indolizine-3,6,10(4H) -trione | - | Faranse |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f) indolizin-3,6,10(4H)-trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Dutch |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizin-3,6,10(4H)-trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizine-3,6,10(4H) -trion | - | Dutch |
| (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 | - | Portuguese, Spanish |
| (S) -4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f] indolizina-3,6,10(4H)-triona | - | Portuguese, Spanish |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Itali |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f] indolizin-3,6,10(4H) -trione | - | Itali |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Swedish |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f] indolizin-3,6,10(4H)-trion | - | Swedish |
| (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 |
Awọn alaye nipasẹ Orilẹ-ede/Ti kariaye & Awọn atokọ miiran
Koodu idiyele ibamu: 293499 Orilẹ-ede/Iwifun Ẹkun Wa
European Union Lakotan
Awọn asia EU
EU kọsitọmu koodu CN: 29349990
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