C13h13No5 1H-Pyrano [3,4-F] Indroizine-3,10 (4-Ethyl-4,8, Aci) - (4s) H319, H302
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 263.25 | - |
Puing leaghte (deuchainneach) | 177.1-178.3 ° C. | - |
Puing goil (ro-innse) | 666.6 ± 55.0 ° C. | Brùth: 760 Torr |
Dùmhlachd (ro-innse) | 1.50 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 11.20 ± 0.20 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c1c2 = c (C = c = c3c (= o) ccn13) c (o) (c (= o) oc2) cc
Isomeric gàire c (c) [C @] 1 (O) C2 = C (= o) N3C (= o) CC3) CoC3 = O
Inchi
Inchi = 1s / c13h13No5 / c1-2-13 (18) 8-4-118,6H3 / T13- / S1
Iuchair Inchi
Igkwogmvoyvsj-zdusscgksa-n
5 ainmean eile airson an stuth seo
(4s) -4 -4 -4,8-dihydroc-4-hyh-pyrano [3,4-F] Indrorizine-3,6,10 (4h) -Trione (ACI); 1h-pyrano [3,4-F] Indroizine-3,10 (4mh) -Trione, 4- Ethydro-7,8-dyydrom-4,8-dyydroxy-, (Zci); (4sg) -4 -4-eryl-4-hyry-7,8-dihydrom-1h-pyrano [3,4-F] Trione; (4s) -4 -4-eryl-4-
Hydroxy-7,8-dihydrom-1h-pyrano [3,4-F] Indroizine-3,10-trione; (Ean) -4 -4-eryl-4-hyry-7,8-dihydro-1h-pyrano [3,4-F] Indolizine-3,6, 4h) -Trione
Togalaichean rim faighinn |
Optigeach agus sgapadh |
Thermal |
Optigeach agus sgapadh
Seilbh | Luach | Suidheachadh | Stòr |
Cumhachd rotactive optigeach | +120.6 deg | c: 0.62 G / 100ML; Fuasgladh: cloroform | (1) IC |
Cumhachd rotactive optigeach | +120.57 deg | c: 0.62 G / 100ML; Fuasgladh: cloroform; Temp: 20 ° C. | (2) IC |
Cumhachd rotactive optigeach | +119.57 deg | c: 1.0 g / 100ml; Fuasgladh: cloroform; λ: 589.3 NM; Temp: 25 ° C. | (3) cas |
Cumhachd rotactive optigeach | +119.57 ceum · ml / g · dm | c: 1.0 g / 100ml; Fuasgladh: cloroform; λ: loidhne sodium d loidhne; Temp: 25 ° C. | (4) cas |
Cumhachd rotactive optigeach | +117.6 deg | c: 0.56 g / 100ml; Fuasgladh: cloroform; Temp: 23 ° C. | (5) IC |
Cumhachd rotactive optigeach | +116.14 ceum · ML / G · DM | c: 1.0 g / 100ml; Fuasgladh: cloroform; λ: loidhne sodium d loidhne; Temp: 26 ° C. | (4) cas |
Cumhachd rotactive optigeach | +96 deg | C: 0.40 g / 100ml; Temp: 21 ° C. | (6) IC |
Cumhachd rotactive optigeach | +77.8 deg | c: 0.62 G / 100ML; Fuasgladh: cloroform; λ: 589.3 NM; Temp: 25 ° C. | (7) cas |
(1) Terasawa, Hirrofumi; Iris Cheimigeach & Cus-òrdughanach, (1989), 37 (12), 3382-5, caperlus
(2) Tagawa, Hiracaki; EP220601, A1, 1987, caperlus
(3) Henegar, Kevin e .; Iris Ceimigre Organach, (1997), 62 (19), 6588-6557, caperlus
(4) Watnabebe, Tatsuya; Ceimigeachd - Iris Àisianach, (2013), 8 (3), 630-638, carperlus
(5) EJIMA, AKio; Iris Comann Ceimigeach, Gnìomhan Perkin 1: Ceimigeachd organach is bith-organach (1972-1999), (10) (1), 27-31, caperlus
(6) Wani, Mansukh c .; Iris Ceimigeachd Leigheadaireachd, (1987), 30 (12), 2317-19, carperlus
(7) Kuang, Yun-Yan; Helvetica chimica Actsa, (2010), 93 (10), 2094-2099, carperlus
Thermal
Seilbh | Luach | Suidheachadh | Stòr | |
Puing leaghaidh | 183-185 ° C (Oconmp) | (1) cas | ||
Puing leaghaidh | 177.1-178.3 ° C. | (2) cas | ||
Puing leaghaidh | 176-177 ° C (Oconmp) | (3) IC | ||
Puing leaghaidh | 169-170 ° C. | Fuasgladh: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica chimica Actsa, (2010), 93 (10), 2094-2099, carperlus
(2) Henegar, Kevin e .; Iris Ceimigre Organach, (1997), 62 (19), 6588-6557, caperlus
(3) EJIMA, AKio; Iris Comann Ceimigeach, Gnìomhan Perkin 1: Ceimigeachd organach is bith-organach (1972-1999), (10) (1), 27-31, caperlus
(4) Wani, Mansukh c .; Iris Ceimigeachd Leigheadaireachd, (1987), 30 (12), 2317-19, carperlus
Spectra ri fhaighinn
1h nmr
Maise
Togalaichean rim faighinn |
Bith-eòlasach |
Ceimigeach |
Dùmhlachd |
Lipinski |
Structar co-cheangailte |
Thermal |
Bith-eòlasach
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 1.0 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Ceimigeach
Seilbh | Luach | Suidheachadh | Stòr |
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 |
Seilbh | Luach | Suidheachadh | Stòr |
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 |
Misneachd solbalileachd neo-ghnèitheach mòr | 371 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 392 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 371 G / L | Uisge neo-leasaichte pH 5.53; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 1.41 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.41 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.41 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.41 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.41 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.41 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr | |
Solubility molar | 1.41 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD | |
Solubility molar | 1.41 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD | |
Solubility molar | 1.41 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD | |
Solubility molar | 1.41 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD | |
Solubility molar | 1.49 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD | |
Solubility molar | 1.41 Mol / L. | Uisge neo-leasaichte pH 5.53; Temp: 25 ° C. | (1) ACD | |
Cuideam molecular | 263.25 | |||
paka | 11.20 ± 0.20 | Temp as searbhagach: 25 ° C. | (1) ACD | |
paka | -2.24 ± 00 | Temp as bunaitiche: 25 ° C. | (1) ACD | |
Cuideam vapor | 1.29 x 10-20 | Torr | Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Dùmhlachd
Seilbh | Luach | Suidheachadh | Stòr |
Dùmhlachd | 1.50 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 174.8 ± 5.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Lipinski
Seilbh | Luach | Suidheachadh | Stòr |
Bannan gu tur ro-bheathaichte | 2 | (1) ACD | |
Hrrairean | 6 | (1) ACD | |
Hnors her | 1 | (1) ACD | |
H tabhartaiche / geurraiche suim | 7 | (1) ACD | |
logp | -0.936 ± 0.842 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 263.25 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
Seilbh | Luach | Suidheachadh | Stòr |
Raon uachdar pòla | 83.9 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Thermal
Seilbh | Luach | Suidheachadh | Stòr |
Point Point | 666.6 ± 55.0 ° C. | Brùth: 760 Torr | (1) ACD |
Enthalpy of Vaporization | 112.17 ± 6.0 KJ / MOL | Brùth: 760 Torr | (1) ACD |
Puing Flash | 357.0 ± 31.5 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1h nmr
13c nmr
Còd | Aithris cunnart | Stòr |
H319 | Ag adhbhrachadh droch bhèitheas sùla | Buidheann Buidheann-cheist Eòrpach (Echa) Clàraidh Clàraidh & Labeling Seòrsachadh agus Labeling - Clàr-taic Buidheann Cheamigeach Eòrpach (Echa) Seòrsachadh agus Labeling - a 'mhòr-chuid de dh' aithrisean as miosa |
H302 | Cronail ma tha thu air a shlugadh | Buidheann Buidheann-cheist Eòrpach (Echa) Clàraidh Clàraidh & Labeling Seòrsachadh agus Labeling - Clàr-taic Buidheann Cheamigeach Eòrpach (Echa) Seòrsachadh agus Labeling - a 'mhòr-chuid de dh' aithrisean as miosa |
Fiosrachadh Gnothachais Dìomhaireachd: Poblach
Synonyms riaghlaidh | ||
(An) -4 -4-eryl-4-hyy-4,8-dihydro-1h-1h-Pyranno (3,4-f) Indlizine-3,6, 4h) -Trione | - | Frangach |
(An) -4 -4-eryl-4-hyy-4,8-dihydro-1h-1h-Pyranno [3,4-F] Indlizine-3,6, 4h) -Trione | - | Frangach |
(An) -4 -4-ereyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) Indlinizin-3,6,4 (4h) -Trion | - | Danmhairg, Gearmailtis |
(An) -4 -4-eryl-4-hytely-7,8-dihydro-1h-pyrano (3,4-f) Indlizine-3,6,4 (4h) -ìor | - | Duitseach |
(An) -4-ey-4-hyyl-4,8-dihydrom-1h-dihydrom-1h-pyrano [3,4-F] Indlizin-3,6,4 (4h) -ìor | - | Danmhairg, Gearmailtis |
(An) -4 -4-eyoryl-4-hyy-7,8-dihydrom-1h-pyrano [3,4-F] Indlizine-3,6, 4h) -ìor | - | Duitseach |
(Ean) -4 -4-eryl-4-hyry-7,8-dihydro-1h-pyrano [3,4-F] Indolizine-3,6, 4h) -Trione | - | - |
(An) -4-Etil-4-hidroxi-4,8-dihidiro-1h-pailo (3,4-F) Indlizina-3,10 (4h) -Triona | - | Portuguese, Spàinntis |
(Ean) -4-Etil-4-hidroxi-7,8-dihidro-1h-palo [3,4-F] Indolizina-3,6,10 (4h) -Triona | - | Portuguese, Spàinntis |
(Ean) -4-etil-4-eitrossi-7,8-dipidro-1h-pailo (3,4-f) Indlinizin-3,6, 4h) -Trione | - | Eadailteach |
(An) -4-etil-4-oprosi-7,8-di8roch-1h-pailo [3,4-F] Indlizin-3,6, 4h) -Trione | - | Eadailteach |
(An) -4-etyl-4-eyl-4,8-dihydro-4,8-dihydro-1h-pyrano (3,4-f) Indlinizin-3,6,10 (4h) -trion | - | Suaineach |
(An) -4-etyl-4-hyl-4,8-dihydro-4,8-dihydrom-1h-pyrano [3,4-F] Indlizin-3,6,10 (4h) -ìor | - | Suaineach |
(An) -4-etyiLiLyliLiLi-4-Hyverdi-7,8-diydrom-1h-Pyrano (3,4-F) InfolitsiIni-3,10 (4h) -Trioni | - | Fionnlaineach |
(An) -4-etyiLiLyliLiLi-4-Hyverdi-7,8-diydrom-1h-pyrano [3,4-F] InfolitsiIni-3,10 (4h) -Trioni | - | Fionnlaineach |
Mion-fhiosrachadh le dùthaich / meadhanan eadar-nàiseanta & liostaichean eile
Còd Tariff Harmonized: 293499 fiosrachadh dùthchail / sgìre ri fhaighinn
Geàrr-chunntas an Aonaidh Eòrpaich
Brataichean EU an EU
Còd Cleachdaidhean AE CN: 29349990000