![C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4-eitile-7,8-dihydro-4- hiodrocsa-, (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-eitile-7,8-dihydro-4- hiodrocsa-, (4S)-(9CI, ACI) H319, H302 Íomhá le feiceáil](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4-eitile-7,8-dihydro-4- hiodrocsa-, (4S)-(9CI, ACI) H319, H302
| Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
| Meáchan móilíneach | 263.25 | - |
| Leáphointe (turgnamhach) | 177.1-178.3 ° C. | - |
| Fiuchphointe (tuartha) | 666.6 ± 55.0 ° C. | Brúigh: 760 Torr |
| Dlús (tuartha) | 1.50 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
| PKA (tuartha) | 11.20 ± 0.20 | An luas is aigéid: 25 ° C. |
Smiles Canónach O = C1C2 = C (C = C3C (= O) CCN13) C (O) (C (= O) OC2) CC
Smiles isiméireacha C (C) [C@] 1 (O) C2 = C (C (= O) N3C (= C2) C (= O) CC3) COC1 = O
Orlach
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
Eochair Inchi
Igkwogmvaoyvsj-zdusscgksa-n
5 Ainm eile don tsubstaint seo
. 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4- Ethyl-7,8-Dihydro-4-hiodrocsa-, (s)-(ZCI); . (4s) -4-ethyl-4-
Hydroxy-7,8-Dihydro-1H-Pyrano [3,4-F] indolizine-3,6,10-trione; .
| Airíonna atá ar fáil |
| Optúil agus scaipthe |
| Teirmeach |
Optúil agus scaipthe
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Cumhacht rothlach optúil | +120.6 deg | C: 0.62 g/100ml; Tuaslagóir: clóraform | (1) IC |
| Cumhacht rothlach optúil | +120.57 deg | C: 0.62 g/100ml; Tuaslagóir: clóraform; TEMP: 20 ° C. | (2) IC |
| Cumhacht rothlach optúil | +119.57 deg | C: 1.0 g/100ml; Tuaslagóir: clóraform; λ: 589.3 nm; TEMP: 25 ° C. | (3) CAS |
| Cumhacht rothlach optúil | +119.57 céim · ml/g · dm | C: 1.0 g/100ml; Tuaslagóir: clóraform; λ: líne s sóidiam D; TEMP: 25 ° C. | (4) CAS |
| Cumhacht rothlach optúil | +117.6 deg | C: 0.56 g/100ml; Tuaslagóir: clóraform; TEMP: 23 ° C. | (5) IC |
| Cumhacht rothlach optúil | +116.14 céim · ml/g · dm | C: 1.0 g/100ml; Tuaslagóir: clóraform; λ: líne s sóidiam D; TEMP: 26 ° C. | (4) CAS |
| Cumhacht rothlach optúil | +96 deg | C: 0.40 g/100ml; TEMP: 21 ° C. | (6) IC |
| Cumhacht rothlach optúil | +77.8 deg | C: 0.62 g/100ml; Tuaslagóir: clóraform; λ: 589.3 nm; TEMP: 25 ° C. | (7) CAS |
(1) Terasawa, Hirofumi; Bullaitín Ceimiceach & Cógaisíochta, (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; Ceimic - An Asian Journal, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Journal of the Chemical Society, Idirbhearta Perkin 1: Ceimic Orgánach agus Bith-Orgánach (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 Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Teirmeach
| Maoin | Luach | Coinníollacha a chur le | Aimsigh | |
| Leáphointe | 183-185 ° C (Decomp) | (1) CAS | ||
| Leáphointe | 177.1-178.3 ° C. | (2) CAS | ||
| Leáphointe | 176-177 ° C (Decomp) | (3) IC | ||
| Leáphointe | 169-170 ° C. | Tuaslagóir: | Aicéatáit eitile | (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, Idirbhearta Perkin 1: Ceimic Orgánach agus Bith-Orgánach (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
Speictrim ar fáil
1H NMR
Mir
| Airíonna atá ar fáil |
| Bitheolaíoch |
| Ceimiceán |
| Dlús |
| Lipinski |
| A bhaineann le struchtúr |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 2; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 3; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 4; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 5; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 6; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 8; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 9; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| 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 |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| 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 |
| logáil | -0.94 | pH 1; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 2; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 3; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 4; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 5; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 6; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 7; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 8; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.94 | pH 9; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.96 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.936 ± 0.842 | TEMP: 25 ° C. | (1) ACD |
| Aifreann Intreach intreach | 371 g/l | TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 392 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 371 g/l | Uisce neamh -mhaolaithe pH 5.53; TEMP: 25 ° C. | (1) ACD |
| Intuaslagthacht intreach molar | 1.41 mol/l | TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.41 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.41 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.41 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.41 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.41 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh | |
| Tuaslagthacht molar | 1.41 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD | |
| Tuaslagthacht molar | 1.41 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD | |
| Tuaslagthacht molar | 1.41 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD | |
| Tuaslagthacht molar | 1.41 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD | |
| Tuaslagthacht molar | 1.49 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD | |
| Tuaslagthacht molar | 1.41 mol/l | Uisce neamh -mhaolaithe pH 5.53; TEMP: 25 ° C. | (1) ACD | |
| Meáchan móilíneach | 263.25 | |||
| pka | 11.20 ± 0.20 | An luas is aigéid: 25 ° C. | (1) ACD | |
| pka | -2.24 ± 0.40 | An luas is bunúsaí: 25 ° C. | (1) ACD | |
| Brú gaile | 1.29 x 10-20 | Torrach | TEMP: 25 ° C. | (1) ACD |
.
Dlús
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Dlús | 1.50 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
| Toirt molar | 174.8 ± 5.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Bannaí rotatable faoi shaoirse | 2 | (1) ACD | |
| H Glacadóirí | 6 | (1) ACD | |
| Hontóirí H. | 1 | (1) ACD | |
| H suim deontóra/glacadóir | 7 | (1) ACD | |
| logáil | -0.936 ± 0.842 | TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 263.25 |
.
A bhaineann le struchtúr
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Achar dromchla polar | 83.9 A2 | (1) ACD | |
.
Teirmeach
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fiuchphointe | 666.6 ± 55.0 ° C. | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht an ghalraithe | 112.17 ± 6.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Bonnphointe | 357.0 ± 31.5 ° C. | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR
| Cód | Ráiteas guaise | Aimsigh |
| H319 | Is cúis le greannú súl tromchúiseach | Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach (ECHA) - Aicmiú agus Lipéadú Fógraithe - Fógraí is Coitianta, Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach - Aicmiú agus Lipéadú Fógraithe - Fógraí is tromchúisí |
| H302 | Díobhálach má shlogtar é | Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach (ECHA) - Aicmiú agus Lipéadú Fógraithe - Fógraí is Coitianta, Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach - Aicmiú agus Lipéadú Fógraithe - Fógraí is tromchúisí |
Faisnéis faoi Ghnó Rúnda: Poiblí
| Comhchiallaigh rialála | ||
| . | - | (De chuid) na Fraince |
| . | - | (De chuid) na Fraince |
| . | - | Danmhairgis, Gearmáinis |
| . | - | Ollannach |
| . | - | Danmhairgis, Gearmáinis |
| . | - | Ollannach |
| . | - | - |
| . | - | Portaingéilis, Spáinnis |
| . | - | Portaingéilis, Spáinnis |
| . | - | (De chuid) na hIodáile |
| . | - | (De chuid) na hIodáile |
| . | - | (De chuid) na Sualainne |
| . | - | (De chuid) na Sualainne |
| . | - | Fionlainnise |
| . | - | Fionlainnise |
Sonraí de réir Tír/Idirnáisiúnta & Liostaí Eile
Cód taraife comhchuibhithe: 293499 faisnéis faoi thír/réigiún ar fáil ar fáil
Achoimre ar an Aontas Eorpach
Bratacha an AE
Cód Custaim an AE CN: 29349990
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