![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, H302 Imaj Prezantasyon](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
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 263.25 | - |
| Pwen fizyon (eksperimantal) | 177.1-178.3 °C | - |
| Pwen bouyi (Prevwa) | 666.6±55.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 1.50±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 11.20±0.20 | Tanperati ki pi asid: 25 °C |
Canonical SMILES O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomerik SRILES 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 kle
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Lòt Non pou sibstans sa a
(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-Etil-4-
idroksi-7,8-dihydro-1H-pirano [3,4-f] indolizin-3,6,10-trione;(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10 (4H)-trione
| Pwopriyete ki disponib |
| Optik ak gaye |
| Tèmik |
Optik ak gaye
| Pwopriyete | Valè | Kondisyon | Sous |
| Optik Rotatory pouvwa | +120.6 degre | c: 0.62 g/100mL;Solvants: klowofòm | (1) IC |
| Optik Rotatory pouvwa | +120.57 degre | c: 0.62 g/100mL;Solvan: klowofòn;Tanperati: 20 °C | (2) IC |
| Optik Rotatory pouvwa | +119.57 degre | c: 1.0 g/100mL;Solvan: klowofòn;λ: 589.3 nm;Tanperati: 25 °C | (3) CAS |
| Optik Rotatory pouvwa | +119.57 degre·mL/g·dm | c: 1.0 g/100mL;Solvan: klowofòn;λ: Sodyòm D liy;Tanperati: 25 °C | (4) CAS |
| Optik Rotatory pouvwa | +117.6 degre | c: 0.56 g/100mL;Solvan: klowofòn;Tanperati: 23 °C | (5) IC |
| Optik Rotatory pouvwa | +116.14 degre·mL/g·dm | c: 1.0 g/100mL;Solvan: klowofòn;λ: Sodyòm D liy;Tanperati: 26 °C | (4) CAS |
| Optik Rotatory pouvwa | +96 degre | c: 0.40 g/100mL;Tanperati: 21 °C | (6) IC |
| Optik Rotatory pouvwa | +77.8 degre | c: 0.62 g/100mL;Solvan: klowofòn;λ: 589.3 nm;Tanperati: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi;Chimik & famasetik bilten, (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;Chimi - Yon jounal Azyatik, (2013), 8 (3), 630-638, CAplus
(5) Ejima, Akio;Journal of the Chemical Society, Perkin Transactions 1: Chimi òganik ak Bio-òganik (1972-1999), (1990) (1), 27-31, CAplus
(6) Wani, Mansukh C.;Journal of Medsin Chimi, (1987), 30 (12), 2317-19, CAplus
(7) Kuang, Yun-Yan;Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous | |
| Pwen k ap fonn | 183-185 °C (dekonp) | (1) CAS | ||
| Pwen k ap fonn | 177.1-178.3 °C | (2) CAS | ||
| Pwen k ap fonn | 176-177 °C (dekonpozisyon) | (3) IC | ||
| Pwen k ap fonn | 169-170 °C | Solvans: | Asetat etil | (4) IC |
(1) Kuang, Yun-Yan;Helvetica Chimica 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 Transactions 1: Chimi òganik ak Bio-òganik (1972-1999), (1990) (1), 27-31, CAplus
(4) Wani, Mansukh C.;Journal of Medsin Chimi, (1987), 30 (12), 2317-19, CAplus
Spectre ki disponib
1H RMN
Mass
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 1;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 2;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 3;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 4;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 7;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 7.37 | pH 1;Tanperati: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2;Tanperati: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6;Tanperati: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 7.37 | pH 8;Tanperati: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 3;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | -0.94 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | -0.96 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | -0.936±0.842 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 371 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 392 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 371 g/L | Dlo san tampon pH 5.53;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 1.41 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.41 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.41 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.41 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.41 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.41 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous | |
| Solibilite molè | 1.41 mol/L | pH 6;Tanperati: 25 °C | (1) ACD | |
| Solibilite molè | 1.41 mol/L | pH 7;Tanperati: 25 °C | (1) ACD | |
| Solibilite molè | 1.41 mol/L | pH 8;Tanperati: 25 °C | (1) ACD | |
| Solibilite molè | 1.41 mol/L | pH 9;Tanperati: 25 °C | (1) ACD | |
| Solibilite molè | 1.49 mol/L | pH 10;Tanperati: 25 °C | (1) ACD | |
| Solibilite molè | 1.41 mol/L | Dlo san tampon pH 5.53;Tanperati: 25 °C | (1) ACD | |
| Pwa molekilè | 263.25 | |||
| pKa | 11.20±0.20 | Tanperati ki pi asid: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | Tanperati ki pi fondamantal: 25 °C | (1) ACD | |
| Presyon vapè | 1.29 x 10-20 | Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.50±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 174.8±5.0 cm3/mol | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 2 | (1) ACD | |
| H Aseptè | 6 | (1) ACD | |
| H Donatè | 1 | (1) ACD | |
| H Sòm donatè/akseptè | 7 | (1) ACD | |
| logP | -0.936±0.842 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 263.25 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 83.9 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 666.6±55.0 °C | Press: 760 Torr | (1) ACD |
| Entalpi nan Vaporizasyon | 112.17±6.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 357.0±31.5 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
| Kòd | Deklarasyon danje | Sous |
| H319 | Kòz iritasyon je grav | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye klasifikasyon ak etikèt - notifikasyon ki pi grav. |
| H302 | Danjre si vale | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye klasifikasyon ak etikèt - notifikasyon ki pi grav. |
Enfòmasyon Konfidansyèl Biznis: Piblik
| Sinonim regilasyon | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno (3,4-f)indolizine-3,6,10(4H)-trione | - | franse |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | franse |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Danwa, Alman |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano (3,4-f)indolizine-3,6,10(4H)-trion | - | Olandè |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Danwa, Alman |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f]indolizine-3,6,10(4H)-trion | - | Olandè |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f]indolizine-3,6,10(4H)-trione | - | - |
| (S)-4-etil-4-idroksi-7,8-dihidro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | Pòtigè, Panyòl |
| (S)-4-etil-4-idroksi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Pòtigè, Panyòl |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Italyen |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Italyen |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano (3,4-f)indolizin-3,6,10(4H)-trion | - | Swedish |
| (S) -4-etil-4-idroksi-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) -triyon | - | Finnish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Finnish |
Detay pa Peyi/Entènasyonal & Lòt Lis
Kòd Tarif Amonize: 293499 Enfòmasyon sou Peyi/Rejyon ki Disponib
Rezime Inyon Ewopeyen an
Drapo Inyon Ewopeyen
Kòd Ladwàn Inyon Ewopeyen CN: 29349990
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