C13H13No5 1h-pyrano [3,4-F] Indolizine-3,6,10 (4h) -trione, 4-etwroxy-, (9ca, Aci) H319, H302
Key Dalili | Daraja | Sharaɗi |
Nauyi na kwayoyin | 263.25 | - |
Melting aya (gwaji) | 177.1-178.3 ° C | - |
Tafasa matsayi (annabta) | 666.6 ± 55.0 ° C | Latsa: 760 Torr |
Density (annabta) | 1.50 ± 0.1 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr |
Pka (annabta) | 11.20 ± 0.20 | Mafi yawan tempt: 25 ° C |
Canonical murmushi = c1c2 = c (c = c3c (= o) ccn13) c (c) (c (o) cc
IMomeric murmushi c (c) [C) (o) C2 = c (c (c (o) N3C (= c (c2) cc3 (o) cc3) cc3) cc1 = o
Inci
Inchi = 1s / c13h13no5 / c1-2-13 (18) 8-14 (8) (16) 6-14 (8) (15) (15) (8) 64-12 (8) (15) (15) (8) (15) (8) (15) (8) (8) 34
Maɓallin Inchi
Igkwogrammaoyvsj zdusscgks-n
5 Sauran sunaye na wannan abu
(4s) -4-ethyl-7,8-dihydro-4-hydroxy-4-pyno-1h-pyrano [3,4-F] Indolizine-3,6,10 (4h) -trione (ACI); 1h-pyrano [3,4-F] Indolizine-3,6,10 (4h) -trione, 4- s) - (zci) - (zci). (4s) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-pyrano [3,4-F] Indolizine-3,6,10 Trone; (4s) -4-ethyl-4-
Hydroxy-7,8-Dihydro-1h-Pyrano [3,4-F] Indolizine-3,6,10-Trione; (S) -4-eth-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-pyrano [3,4-F] Indolizine-3,6,10 (4h) -trione
Kayan da ake samu |
Optical da watsa |
Rashin ƙarfi |
Optical da watsa
Dukiya | Daraja | Sharaɗi | Mafari |
Powericable Motsa Matsayi | +120.6 Dig | C: 0.62 g / 100ml; Sosovent: chloroform | (1) IC |
Powericable Motsa Matsayi | +120.55 Dig | C: 0.62 g / 100ml; Sauran ƙarfi: chloroform; Temp: 20 ° C | (2) IC |
Powericable Motsa Matsayi | +119.57 Dig | c: 1.0 g / 100ml; Sauran ƙarfi: chloroform; λ: 589.3 nm; HATHI: 25 ° C | (3) CAS |
Powericable Motsa Matsayi | +119.57 digiri · ml / G ol | c: 1.0 g / 100ml; Sauran ƙarfi: chloroform; λ: sodium d line; HATHI: 25 ° C | (4) cas |
Powericable Motsa Matsayi | +117.6 Dig | C: 0.56 g / 100ml; Sauran ƙarfi: chloroform; TATTH: 23 ° C | (5) IC |
Powericable Motsa Matsayi | +116.14 digiri · ml / G ol | c: 1.0 g / 100ml; Sauran ƙarfi: chloroform; λ: sodium d line; TATTH: 26 ° C | (4) cas |
Powericable Motsa Matsayi | +96 deg | C: 0.40 g / 100ml; TATTH: 21 ° C | (6) IC |
Powericable Motsa Matsayi | +77.8 deg | C: 0.62 g / 100ml; Sauran ƙarfi: chloroform; λ: 589.3 nm; HATHI: 25 ° C | (7) CAS |
(1) Terasawa, Hirofumi; Babus din Chemical & Pharmaceutical Bullistin, (1989), 37 (12), 3382-5, caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAPLUS
(3) Henegar, Kevin E.; Jaridar Chemistry, (1997), 62 (19), 6588-657, Caplus
(4) Watanabe, Tatsiya; Sunadarai - Jaridar Asiya, (2013), 8 (3), 630-638, caplus
(5) Ejima, Akio; Jaridar al'ummar ke sinadarai, Perkin matse-canje 1: Chriscrys Cemistry na Organic (1972-1999), (190), 27-31, Chlus
(6) Ni kuwa, Mansuk C.; Jaridar Chemistry na Magani, (1987), 30 (12), 2317-19, Caplus
(7) Ku tarang, Yun-Yan. Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, caplus
Rashin ƙarfi
Dukiya | Daraja | Sharaɗi | Mafari | |
Mallaka | 183-185 ° C (DecPH) | (1) cas | ||
Mallaka | 177.1-178.3 ° C | (2) cas | ||
Mallaka | 176-177 ° C (DecPH) | (3) IC | ||
Mallaka | 169-170 ° C | Soform: | Ethyl Acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, caplus
(2) Henegar, Kevin E.; Jaridar Chemistry, (1997), 62 (19), 6588-657, Caplus
(3) Ejima, Akio; Jaridar al'ummar ke sinadarai, Perkin matse-canje 1: Chriscrys Cemistry na Organic (1972-1999), (190), 27-31, Chlus
(4) Nisa, Mansuk C.; Jaridar Chemistry na Magani, (1987), 30 (12), 2317-19, Caplus
Spectra akwai
1H nmr
Tari
Kayan da ake samu |
Nazarin halitta |
Na kemistri |
Yawa |
Lipinski |
Tsarin ya shafi |
Rashin ƙarfi |
Nazarin halitta
Dukiya | Daraja | Sharaɗi | Mafari |
Bayani na Bioconcentoration | 1.0 | pH 1; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 2; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 3; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | pH 4; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 5; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | pH 6; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 7; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 8; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 9; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 10; HATHI: 25 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Na kemistri
Dukiya | Daraja | Sharaɗi | Mafari |
Koc | 7.37 | pH 1; HATHI: 25 ° C | (1) ACD |
Koc | 7.37 | PH 2; HATHI: 25 ° C | (1) ACD |
Koc | 7.37 | PH 3; HATHI: 25 ° C | (1) ACD |
Koc | 7.37 | pH 4; HATHI: 25 ° C | (1) ACD |
Koc | 7.37 | PH 5; HATHI: 25 ° C | (1) ACD |
Koc | 7.37 | pH 6; HATHI: 25 ° C | (1) ACD |
Koc | 7.37 | PH 7; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari |
Koc | 7.37 | PH 8; HATHI: 25 ° C | (1) ACD |
Koc | 7.33 | PH 9; HATHI: 25 ° C | (1) ACD |
Koc | 6.94 | PH 10; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | pH 1; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | PH 2; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | PH 3; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | pH 4; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | PH 5; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | pH 6; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | PH 7; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | PH 8; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.94 | PH 9; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.96 | PH 10; HATHI: 25 ° C | (1) ACD |
logp | -0.936 ± 0.842 | HATHI: 25 ° C | (1) ACD |
Taro na kwantar da hankali | 371 g / l | HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | pH 1; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | PH 2; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | PH 3; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | pH 4; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | PH 5; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | pH 6; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | PH 7; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | PH 8; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | PH 9; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 392 g / l | PH 10; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 371 g / l | Unbuled ruwa ph 5.53; HATHI: 25 ° C | (1) ACD |
Maganin Magana na Magana | 1.41 MOL / L | HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 1.41 MOL / L | pH 1; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 1.41 MOL / L | PH 2; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 1.41 MOL / L | PH 3; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 1.41 MOL / L | pH 4; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 1.41 MOL / L | PH 5; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari | |
Ƙirar Molar | 1.41 MOL / L | pH 6; HATHI: 25 ° C | (1) ACD | |
Ƙirar Molar | 1.41 MOL / L | PH 7; HATHI: 25 ° C | (1) ACD | |
Ƙirar Molar | 1.41 MOL / L | PH 8; HATHI: 25 ° C | (1) ACD | |
Ƙirar Molar | 1.41 MOL / L | PH 9; HATHI: 25 ° C | (1) ACD | |
Ƙirar Molar | 1.49 MOL / L | PH 10; HATHI: 25 ° C | (1) ACD | |
Ƙirar Molar | 1.41 MOL / L | Unbuled ruwa ph 5.53; HATHI: 25 ° C | (1) ACD | |
Nauyi na kwayoyin | 263.25 | |||
Pka | 11.20 ± 0.20 | Mafi yawan tempt: 25 ° C | (1) ACD | |
Pka | -2.24 ± 0.40 | Mafi yawan Temp: 25 ° C | (1) ACD | |
Vapor matsa lamba | 1.29 x 10-20 | Tuk tof | HATHI: 25 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Yawa
Dukiya | Daraja | Sharaɗi | Mafari |
Yawa | 1.50 ± 0.1 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr | (1) ACD |
Mai launi mai mor. | 174.8 ± 5.0 CM3 / MOL | Hemp: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Lipinski
Dukiya | Daraja | Sharaɗi | Mafari |
Kyaututtuka na Rotatatable | 2 | (1) ACD | |
H revors | 6 | (1) ACD | |
H Masu ba da gudummawa | 1 | (1) ACD | |
H Kyauta / Mai ba da Kyauta | 7 | (1) ACD | |
logp | -0.936 ± 0.842 | HATHI: 25 ° C | (1) ACD |
Nauyi na kwayoyin | 263.25 |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Tsarin ya shafi
Dukiya | Daraja | Sharaɗi | Mafari |
Yankin polar | 83.9 A2 | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Rashin ƙarfi
Dukiya | Daraja | Sharaɗi | Mafari |
Tafasa | 666.6 ± 55.0 ° C | Latsa: 760 Torr | (1) ACD |
Entalpy na Vaporization | 112.17 ± 6.0 KJ / MOL | Latsa: 760 Torr | (1) ACD |
M hanya | 357.0 ± 31.5 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Spectra akwai
1H nmr
13C nmr
Tsari | Bayanin Hazard | Mafari |
H319 | Yana haifar da mummunan idanu | Hukumar Kimiyya ta Turai (ECHA) rarrabuwa & kayan kwalliya - sanarwar rarrabuwa - kayan kwalliya na Turai - sanarwar rarrabuwa - sanarwar sanarwa |
H02 | Cutarwa idan ya haɗiye | Hukumar Kimiyya ta Turai (ECHA) rarrabuwa & kayan kwalliya - sanarwar rarrabuwa - kayan kwalliya na Turai - sanarwar rarrabuwa - sanarwar sanarwa |
Bayanin Kasuwanci na sirri: Jama'a
Tsarin kalmomi | ||
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno (3,4-pyranno (3,4-f) indolizine-3,6,10 (4h) -trione | - | Faransanci |
(S) -4-eth-4-hydroxy-7,8-dihydro-1h-pyranno [3,4-pyranno [3,4-pyranno [3,4-F] Indolizine-3,6,10 (4h) -trione | - | Faransanci |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) indololizin-3,6,10 (4h) -trion | - | Danish, Jamusanci |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano-1h-pyrano (3,4-f) indolizine-3,6,10 (4h) -trion | - | Yar doki |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-pyrano [3,4-f] Indolizin-3,6,10 (4h) -Tu | - | Danish, Jamusanci |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-pyrano [3,4-F] Indolizine-3,6,10 (4h) -trion | - | Yar doki |
(S) -4-eth-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-pyrano [3,4-F] Indolizine-3,6,10 (4h) -trione | - | - |
(S) -4-itil-4-Hidroxi-7,8-DIhidro-1h-pirano-1h-pirano-1h-pirano (3,6,10 (4h) -triona | - | Fotigal, Spanish |
(S) -4-etil-4-Hidroxi-7,8-Driidro-1h-Pirano [3,4-F] Indolizina-3,6,10 (4h) -triona | - | Fotigal, Spanish |
(S) -4-etil-4-idrrossi-7,8-diidro-1h-pirano (3,4,1-f) indolizzin-3,6,10 (4h) -trione | - | Italiyanci |
(S) -4-etil-4-IDrosri-7,8-pirano-1h-pirano [3,4-pirano [3,4-f] indolizin-3,6,10 (4h) -trione | - | Italiyanci |
(S) -4-etyl-4-hydroxi-7,8-dihydro-1h-pyrano-1h-pyrano (3,4-f) indolizzin-3,6,10 (4h) | - | Yaren mutanen Sweden |
(S) -4-etl-4-hydroxi-7,8-dihydro-1h-pyrano [3,4-pyrano [3,4-pyrano [3,4-F] Indolizin-3,6,10 (4h) -trion | - | Yaren mutanen Sweden |
(S) -4-tydli-4-hydreksi-7,8-dihydro-1h-pyrano-1h-pyrano (3,4-f) indolitsiini | - | Farensh |
(S) -4-hydreki-4,8-diohydro-1h-pyrano [3,4-pyrano [3,4-pyrano [3,4-f] indolitsiini-3,6,10 (4h) -trioni | - | Farensh |
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