C13th136-yrano [3,4-F] Melizine-4-18pion-4,8-devidrone-4,8-digotrone-4,8-18c) - (4c) - H319, H302
ʻO nā waiwai pilikino | Waiwai | Kauoha |
Kaupaona molebular | 263.25 | - |
ʻO ka kuhikuhiʻana (hoʻokolohua) | 177.1-178.3 ° C | - |
Ka hanaʻana (wānana) | 666.6 ± 55.0 ° C | E kaomi: 760 Torr |
Density (wānana) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; E kaomi: 760 Torr |
PKA (wānana) | 11.20 ± 0.20 | Nui loa acidic temp: 25 ° C |
Cannical smiles o = c1c2 = c (c = c3c (= o) c (c (= oc2) cc2) cc2) cc2) cc2) cc2) cc2) cc2) c
Nā mea i hoʻopaʻaʻia c (c) [c @) 1 (o) c2 = c (= c
Iachi
Inchi = 1s / c13H3No5 / C1-2-13 (16) 6-4-14,1-4- / M0 / M0 / T1-
Inchi kī
IGKWOGMMMMMVSJ-ZDUSTCGKKKA-N
5ʻO nā inoa'ē aʻe no kēia waiwai
(4s) -4-ethyl-7,8-dowdrox-4-hydroxy-1h-pyrano [3,4-F] indoliizine-3,4-F] 1H-Pyrano [3,4-F] Indoliizine-3,6,10 (4h)-7,8-DOCE) ) (4s) -4-Ethyl-4-
hydroxy-7,8-dihydro-1sh-pyrano [3,4-F] Indoliizine-3,6,10-TIONE; (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-F] Indoliizine-3,4-fislizine
Loaʻa nā waiwai |
Optical and spot |
Thermal |
Optical and spot
Waiwai | Waiwai | Kauoha | Kumu |
Manaʻaeʻia | +120.6 | c: 0.62 g / 100ml; Hoʻopau: Chloroform | (1) IC |
Manaʻaeʻia | +120.57 deg | c: 0.62 g / 100ml; Hoʻopau: Chlorform; Temp: 20 ° c | (2) IC |
Manaʻaeʻia | +119.57 kau | c: 1.0 g / 100ml; Hoʻopau: Chlorform; λ: 589.3 nm; Temp: 25 ° C | (3) CAS |
Manaʻaeʻia | +119.57 kuepona · ml / grm | c: 1.0 g / 100ml; Hoʻopau: Chlorform; λ:ʻO Sodium D laina; Temp: 25 ° C | (4) cas |
Manaʻaeʻia | +117.6 deg | c: 0.56 g / 100ml; Hoʻopau: Chlorform; Temp: 23 ° c | (5) IC |
Manaʻaeʻia | +116.14 degeszer · ml / g · gm | c: 1.0 g / 100ml; Hoʻopau: Chlorform; λ:ʻO Sodium D laina; Temp: 26 ° C | (4) cas |
Manaʻaeʻia | +96 | C: 0.40 G / 100ml; Temp: 21 ° C | (6) IC |
Manaʻaeʻia | +77.8 deg | c: 0.62 g / 100ml; Hoʻopau: Chlorform; λ: 589.3 nm; Temp: 25 ° C | (7) CAS |
(1) Torasawa, Hirofumi; Chemia & galancceutical bultletin, (1989), 37 (12), 3382-5, CALLUS
(2) Tagawa, Hiroai; EP220601, A1, 1987, CAPLUS
(3) henegar, kevin e .; Ka Manaʻo o ka Kauka Pūkuai o Organic, (1997), 62 (19), 6588-6599, CAPLUS
(4) watanabe, tatsuya; Chineale - A Amia Kuhinali-(2013), 8 (3), 630-638, Callus
(5) Ejima, Akai; ʻO ka mea hanohano o kaʻepekema o ke kaiāulu, Perkin Transions 1: Orgicic lāua
(6) Wani, Mansukhi C. KOLOHE O KA LOA O PRODICITY CIFFISTRY, (1987), 30 (12), 2317-19, ka caplus
(7) Kuang, Yun-Yan; Helvetie Chimica Ata, (2010), 93 (10), 2094-209, CAPLus
Thermal
Waiwai | Waiwai | Kauoha | Kumu | |
Malting Point | 183-185 ° C (DeComP) | (1) CAS | ||
Malting Point | 177.1-178.3 ° C | (2) cas | ||
Malting Point | 176-177 ° C (DeComP) | (3) IC | ||
Malting Point | 169-170 ° C | ALOHA: | Estl acetate | (4) IC |
(1) Kuang, yun-yan; Helvetie Chimica Ata, (2010), 93 (10), 2094-209, CAPLus
(2) henegar, kevin e .; Ka Manaʻo o ka Kauka Pūkuai o Organic, (1997), 62 (19), 6588-6599, CAPLUS
(3) Ejima, Akio; ʻO ka mea hanohano o kaʻepekema o ke kaiāulu, Perkin Transions 1: Orgicic lāua
(4) Wani, Mansukhi C. KOLOHE O KA LOA O PRODICITY CIFFISTRY, (1987), 30 (12), 2317-19, ka caplus
Specpe i Loa
1H NMR
Mamano
Loaʻa nā waiwai |
Loea |
Kekau |
Huakai |
Lipinski |
Pili pū ka piliʻana |
Thermal |
Loea
Waiwai | Waiwai | Kauoha | Kumu |
Pūnaehana Pūnaewele | 1.0 | pH 1; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | PH 2; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 3; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | PH 4; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 5; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | ph 6; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | ph 7; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 8; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 9; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | PH 10; Temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Kekau
Waiwai | Waiwai | Kauoha | Kumu |
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 |
Waiwai | Waiwai | Kauoha | Kumu |
Koc | 7.37 | pH 8; Temp: 25 ° C | (1) acd |
Koc | Keam33 | pH 9; Temp: 25 ° C | (1) acd |
Koc | 6.94 | PH 10; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | pH 1; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | PH 2; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | pH 3; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | PH 4; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | pH 5; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | ph 6; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | ph 7; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | pH 8; Temp: 25 ° C | (1) acd |
Kākau | -0.94 | pH 9; Temp: 25 ° C | (1) acd |
Kākau | -0.96 | PH 10; Temp: 25 ° C | (1) acd |
LOGP | -0.936 ± 0.842 | Temp: 25 ° C | (1) acd |
ʻO ka solubilitic intrinsic | 371 g / l | Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | pH 1; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | PH 2; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | pH 3; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | PH 4; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | pH 5; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | ph 6; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | ph 7; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | pH 8; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | pH 9; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 392 G / l | PH 10; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 371 g / l | Ka Wai Ulo PH 1,53; Temp: 25 ° C | (1) acd |
Molala intrinsic repubility | 1.41 mol / l | Temp: 25 ° C | (1) acd |
Mlagerliility | 1.41 mol / l | pH 1; Temp: 25 ° C | (1) acd |
Mlagerliility | 1.41 mol / l | PH 2; Temp: 25 ° C | (1) acd |
Mlagerliility | 1.41 mol / l | pH 3; Temp: 25 ° C | (1) acd |
Mlagerliility | 1.41 mol / l | PH 4; Temp: 25 ° C | (1) acd |
Mlagerliility | 1.41 mol / l | pH 5; Temp: 25 ° C | (1) acd |
Waiwai | Waiwai | Kauoha | Kumu | |
Mlagerliility | 1.41 mol / l | ph 6; Temp: 25 ° C | (1) acd | |
Mlagerliility | 1.41 mol / l | ph 7; Temp: 25 ° C | (1) acd | |
Mlagerliility | 1.41 mol / l | pH 8; Temp: 25 ° C | (1) acd | |
Mlagerliility | 1.41 mol / l | pH 9; Temp: 25 ° C | (1) acd | |
Mlagerliility | 1.49 mol / l | PH 10; Temp: 25 ° C | (1) acd | |
Mlagerliility | 1.41 mol / l | Ka Wai Ulo PH 1,53; Temp: 25 ° C | (1) acd | |
Kaupaona molebular | 263.25 | |||
pka | 11.20 ± 0.20 | Nui loa acidic temp: 25 ° C | (1) acd | |
pka | -2.24 ± 0.40 | ʻO ka hapa nui o ka temp: 25 ° C | (1) acd | |
Ke kaomi kino | 1.29 x 10-20 | Torr | Temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Huakai
Waiwai | Waiwai | Kauoha | Kumu |
Huakai | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
Mlar lang | 174.8 ± 5.0 cm3 / mol | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Lipinski
Waiwai | Waiwai | Kauoha | Kumu |
Nā mea paʻa paʻa | 2 | (1) acd | |
Hcceptors | 6 | (1) acd | |
H donors | 1 | (1) acd | |
H hāʻawi /ʻaeʻia ka loaʻa kālā | 7 | (1) acd | |
LOGP | -0.936 ± 0.842 | Temp: 25 ° C | (1) acd |
Kaupaona molebular | 263.25 |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Pili pū ka piliʻana
Waiwai | Waiwai | Kauoha | Kumu |
Wahi wahi papa | 83.9 a2 | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Thermal
Waiwai | Waiwai | Kauoha | Kumu |
Makaʻikua | 666.6 ± 55.0 ° C | E kaomi: 760 Torr | (1) acd |
E komo i ka Vaporization | 112.17 ± 6.0 kj / mol | E kaomi: 760 Torr | (1) acd |
Polout Flall | 357.0 ± 31.5 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Specpe i Loa
1H NMR
13c nmr
'Apili | Hōʻikeʻike | Kumu |
H219 | E hōʻeha i ka huhū maka | ʻO kaʻoihana Kūʻai Kūʻai Nui |
H302 | Hanaʻino inā i make | ʻO kaʻoihana Kūʻai Kūʻai Nui |
Nā'ikeʻikeʻikeʻike hōʻoia: ka lehulehu
Nā Hōʻailona Regulatory Singulajatory | ||
(S) -4-ethyl-4-hydroxy-7,8-diozdro-1h-pyranno (3,6,4-f) | - | Palani |
(S) -4-ethyl-4-hydroxy-7,8-doydro-1h-pyranno [3,4-F] indolizine-3,4-F] indolizine-3,4-fislizine | - | Palani |
(S) -4-Ethyl-4-hydroxy-7,8-diordro-1h-pyrano (3,4-f) indolizin-3,6,10 (4h) | - | ʻO Danish, Kelemania |
(S) -4-ethyl-4-hydroxy-7,8-diordro-1h-pyrano (3,6,4 (4h) | - | Hōlani |
(S) -4-Ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,6,10 (4h) | - | ʻO Danish, Kelemania |
(S) -4-ethyl-4-hydroxy-7,8-diordro-1h-pyrano [3,4-f] indolimine-3,4-fislizine [3,4-f] | - | Hōlani |
(S) -4-Ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-F] Indoliizine-3,4-fislizine | - | - |
(S) -4-Etil-4-Hosroroxi-7,8-dihidro-1h-Pirano (3,6,4 (4h) | - | ʻO Putuguese, Spanish |
(S) -4-Etil-4-Hosroroxi-7,8-dihidro-1h-Pirano [3,6,4 (4h) | - | ʻO Putuguese, Spanish |
(S) -4-etil-4-adrossi-7,8-didro-1h-pirano (3,4-f) indolizin-3,6,10 (4h) | - | Ikalia |
(S) -4-etil-4-adrossi | - | Ikalia |
(S) -4-eytl-4-hydroxi-7,8-dihydro-1h-pyrano (3,6,4 (4h) | - | Kuekene |
(S) -4-eytl-4-hydroxi-7,8-dihydro-1h-pyrano [3,4-F] indolizin-3,4-F] indolizin-3,4-F] | - | Kuekene |
(S) -4-etyyli-4-hydroksi-7,8-dihydro-1h-pyrano (3,6,4-f) indolitiniini-3,6,4 (4h) | - | Pinilana |
(S) -4-etyyli-4-hydroksi-7,8-dihydro-1h-pyrano [3,6,10 (4h) | - | Pinilana |
Nā kiko'ī e nā'āina / International & Nā papa inoa'ē aʻe
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