![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 Fitur, (4S)-(9CI, ACI) H319, H302 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
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 263.25 | - |
| Leluh Titik (Eksperimental) | 177.1-178.3 ° C. | - |
| Titik didih (diprediksi) | 666.6 ± 55.0 ° C. | Tekan: 760 Torr |
| Kepadatan (diprediksi) | 1,50 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 11.20 ± 0.20 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik O = C1C2 = C (C = C3C (= O) CCN13) C (O) (C (= O) OC2) CC
Senyum isomerik C (C) [C@] 1 (O) C2 = C (C (= O) N3C (= C2) C (= O) CC3) COC1 = O.
Inci
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
Kunci Inchi
Igkwogmvaoyvsj-zdusscgksa-n
5 Nama Lain untuk Substansi Ini
(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-
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
| Properti tersedia |
| Optik dan hamburan |
| Panas |
Optik dan hamburan
| Milik | Nilai | Kondisi | Sumber |
| Daya rotasi optik | +120,6 derajat | C: 0,62 g/100ml; Pelarut: Kloroform | (1) IC |
| Daya rotasi optik | +120,57 derajat | C: 0,62 g/100ml; Pelarut: kloroform; Temp: 20 ° C. | (2) IC |
| Daya rotasi optik | +119.57 derajat | C: 1.0 g/100ml; Pelarut: kloroform; λ: 589.3 nm; Temp: 25 ° C. | (3) Cas |
| Daya rotasi optik | +119.57 derajat · ml/g · dm | C: 1.0 g/100ml; Pelarut: kloroform; λ: Sodium D Line; Temp: 25 ° C. | (4) Cas |
| Daya rotasi optik | +117,6 derajat | C: 0,56 g/100ml; Pelarut: kloroform; Temp: 23 ° C. | (5) IC |
| Daya rotasi optik | +116.14 derajat · ml/g · dm | C: 1.0 g/100ml; Pelarut: kloroform; λ: Sodium D Line; Temp: 26 ° C. | (4) Cas |
| Daya rotasi optik | +96 derajat | C: 0,40 g/100ml; Temp: 21 ° C. | (6) IC |
| Daya rotasi optik | +77,8 derajat | C: 0,62 g/100ml; Pelarut: kloroform; λ: 589.3 nm; Temp: 25 ° C. | (7) Cas |
(1) Terasawa, Hirofumi; Buletin Kimia & Farmasi, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin E.; Jurnal Kimia Organik, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Kimia - Jurnal Asia, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Jurnal Masyarakat Kimia, Transaksi Perkin 1: Kimia Organik dan Bio-Organik (1972-1999), (1990) (1), 27-31, Caplus
(6) Wani, Mansukh C.; Jurnal Kimia Obat, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Panas
| Milik | Nilai | Kondisi | Sumber | |
| Titik lebur | 183-185 ° C (Decomp) | (1) Cas | ||
| Titik lebur | 177.1-178.3 ° C. | (2) Cas | ||
| Titik lebur | 176-177 ° C (Decomp) | (3) IC | ||
| Titik lebur | 169-170 ° C. | Pelarut: | Etil asetat | (4) IC |
(1) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin E.; Jurnal Kimia Organik, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Jurnal Masyarakat Kimia, Transaksi Perkin 1: Kimia Organik dan Bio-Organik (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C.; Jurnal Kimia Obat, (1987), 30 (12), 2317-19, Caplus
Spektrum tersedia
1H nmr
Massa
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
| Panas |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| 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 |
| Milik | Nilai | Kondisi | Sumber |
| 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 |
| Kelarutan intrinsik massa | 371 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 392 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 371 g/l | Air PH 5.53 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.41 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.41 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber | |
| Kelarutan molar | 1.41 mol/l | pH 6; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | pH 7; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | pH 8; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | pH 9; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.49 mol/l | pH 10; Temp: 25 ° C. | (1) ACD | |
| Kelarutan molar | 1.41 mol/l | Air PH 5.53 yang tidak terikat; Temp: 25 ° C. | (1) ACD | |
| Berat molekul | 263.25 | |||
| PKA | 11.20 ± 0.20 | Sebagian besar suhu asam: 25 ° C | (1) ACD | |
| PKA | -2.24 ± 0,40 | Paling Basa Temp: 25 ° C | (1) ACD | |
| Tekanan uap | 1.29 x 10-20 | Torr | Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,50 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 174.8 ± 5.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 2 | (1) ACD | |
| H akseptor | 6 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor/jumlah akseptor | 7 | (1) ACD | |
| logp | -0,936 ± 0,842 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 263.25 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Area Permukaan Kutub | 83.9 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik didih | 666.6 ± 55.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi penguapan | 112.17 ± 6,0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 357.0 ± 31.5 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
| Kode | Pernyataan Bahaya | Sumber |
| H319 | Menyebabkan iritasi mata yang serius | Klasifikasi & Pelabelan Klasifikasi Kimia Eropa - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Umum, Badan Kimia Eropa (ECHA) Klasifikasi & Pelabelan Inventarisasi - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Serius |
| H302 | Berbahaya jika tertelan | Klasifikasi & Pelabelan Klasifikasi Kimia Eropa - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Umum, Badan Kimia Eropa (ECHA) Klasifikasi & Pelabelan Inventarisasi - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Serius |
Informasi Bisnis Rahasia: Publik
| Sinonim Pengatur | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno (3,4-F) indolizine-3,6,10 (4H) -trione | - | Perancis |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno [3,4-f] indolizine-3,6,10 (4H) -trione | - | Perancis |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-F) indolizin-3,6,10 (4H) -trion | - | Denmark, Jerman |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-F) indolizine-3,6,10 (4H) -trion | - | Belanda |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-F] indolizin-3,6,10 (4H) -trion | - | Denmark, Jerman |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4H) -trion | - | Belanda |
| (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 | - | Portugis, Spanyol |
| (S) -4-ETIL-4-hidroxi-7,8-dihidro-1h-pirano [3,4-F] Indolizina-3,6,10 (4H) -Triona | - | Portugis, Spanyol |
| (S) -4-ETIL-4-IDROSSI-7,8-DIIDRO-1H-PIRANO (3,4-F) Indolizin-3,6,10 (4H) -Trione | - | Italia |
| (S) -4-ETIL-4-IDROSSI-7,8-DIIDRO-1H-PIRANO [3,4-F] Indolizin-3,6,10 (4H) -Trione | - | Italia |
| (S) -4-hyl-4-hydroxi-7,8-dihydro-1h-pyrano (3,4-f) indolizin-3,6,10 (4H) -trion | - | Swedia |
| (S) -4-hyl-4-hydroxi-7,8-dihydro-1h-pyrano [3,4-f] indolizin-3,6,10 (4H) -trion | - | Swedia |
| (S) -4-Hetyyli-4-hydroksi-7,8-dihydro-1h-pyrano (3,4-F) indolitsiini-3,6,10 (4H) -trioni | - | Finlandia |
| (S) -4-meteri-4-hydroksi-7,8-dihydro-1h-pyrano [3,4-f] indolitsiini-3,6,10 (4H) -trioni | - | Finlandia |
Detail oleh negara/internasional & daftar lainnya
Kode tarif yang diselaraskan: 293499 Informasi negara/wilayah tersedia
Ringkasan Uni Eropa
Bendera UE
Kode Bea Cukai UE CN: 29349990
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