C13h13n55 1h-pyrano [3,4-f] Indolizine-3,6) -Thydro-4- ethyl-7,8-istholog-, (9s) - (9Ci, Aci) H319, H302
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 2635 | - |
Melting taw tes (sim) | 177.1-178.3 ° C | - |
Boiling taw tes (kwv yees) | 666.6 ± 55.0 ° C | XOVXWM: 760 Torr |
Ntom ntom (kwv yees) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 11.20 ± 0.20 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c1c2 = c (c = c3c (= o) CCN13) C (O) (= O) OC2) CC
Isomeric smiles c (c) [c @] 1 (o) C2 = c (= c (= c2) cc3) coc3 = O
Tus hauv onei
Inchi = 1s / c13h13
Inchi tus yuam sij
Igkwogmvaoyvsj-zdusscgksa-n
5 lwm lub npe rau cov khoom siv no
(4s) -4-Ethyl-7,8-Dihydro-4H-pyroxy-1h-pyroany-1h-pyroany-1h-f] Indolizine-3,6) -Tiv (4H) -Si); 1H-pyrano [3,4-f] Indolizine-3,6) -Tus, 4- Ethhyl-4-Hydrodo-4-Hydroxy-, (ZCI); (4s) -4-Ethyl-4-Hydroxy-7,8-awsdro-1h-pyyro-1h-pyyro-1h-pyyro [3,4-f] Indolizine-3,6,10 (4H) Trione; (4s) -4-Ethyl-4-
Hydroxy-7,8-diydro-1h-pyrano [3,4-f] Indolizine-3,6,10-Trione; (S) -4-Ethyl-4-Hydroxy-7,8-awsdro-1h-pyyro-1h-pyyro-1h-pyyro [3,4-f] Indolizine-3,6,10 (4h) -trione
Cov khoom muaj |
Kho qhov muag thiab tawg |
Thermal |
Kho qhov muag thiab tawg
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Optical Rotatory zog | +120.6 DEG | C: 0.62 G / 100ML; Cov kuab tshuaj: Cloroform | (1) IC |
Optical Rotatory zog | +120.57 DEG | C: 0.62 G / 100ML; Cov kuab tshuaj: chloroform; Temp: 20 ° C | (2) IC |
Optical Rotatory zog | +119.57 DEG | C: 1.0 G / 100ML; Cov kuab tshuaj: chloroform; λ: 589.3 nm; Temp: 25 ° C | (3) CAS |
Optical Rotatory zog | +119.57 Degrue Aas / GUKS ANM | C: 1.0 G / 100ML; Cov kuab tshuaj: chloroform; λ: Sodium d kab; Temp: 25 ° C | (4) Cas |
Optical Rotatory zog | +117.6 DEG | C: 0.56 g / 100ml; Cov kuab tshuaj: chloroform; Temp: 23 ° C | (5) IC |
Optical Rotatory zog | +116.14 Qib ANHL / GUN ANM | C: 1.0 G / 100ML; Cov kuab tshuaj: chloroform; λ: Sodium d kab; Temp: 26 ° C | (4) Cas |
Optical Rotatory zog | +96 DEG | C: 0.40 g / 100ml; Temp: 21 ° C | (6) IC |
Optical Rotatory zog | +77.8 DEG | C: 0.62 G / 100ML; Cov kuab tshuaj: chloroform; λ: 589.3 nm; Temp: 25 ° C | (7) Cas |
(1) terasawa, hijo; Tshuaj lom neeg & cov ntaub ntawv tshuaj xyuas, (1989), 37 (12), 3382-5, CAPPUS
(2) tagawa, hiroaki; EP220601, A1, 1987, CAPPUS
(3) Henegar, Kevin E.; Cov ntaub ntawv xov xwm cov organic organic, (1997), 62 (19), 658-88-6597, CAPPUS
(4) watanabe, tatsuya; Chemistry - Phau Ntawv Teev Npe Asian, (2013), 8 (3), 630-638, CAPPUS
(5) Ejima, Akio; Phau Ntawv Xov Xwm Ntawm Lub Koom Haum Siv Tshuaj Lom Neeg, Perkin Kev Lag Luam 1: Organic Thiab Bio-Organic Chemistry (1972-1999), (1), CAPPUS
(6) wani, mansukh c.; Phau ntawv sau cov tshuaj chemistry, (1987), 30 (12), 2317-19, causi
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAPPUS
Thermal
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus | |
Melting point | 183-185 ° C (Decomp) | (1) CAS | ||
Melting point | 177.1-178.3 ° C | (2) Cas | ||
Melting point | 176-177 ° C (Decomp) | (3) IC | ||
Melting point | 169-170 ° C | Kuab: | Ethyl Acetate | (4) ic |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAPPUS
(2) henegar, Kevin E.; Cov ntaub ntawv xov xwm cov organic organic, (1997), 62 (19), 658-88-6597, CAPPUS
(3) EJima, Akio; Phau Ntawv Xov Xwm Ntawm Lub Koom Haum Siv Tshuaj Lom Neeg, Perkin Kev Lag Luam 1: Organic Thiab Bio-Organic Chemistry (1972-1999), (1), CAPPUS
(4) WANI, MANSUKH C.; Phau ntawv sau cov tshuaj chemistry, (1987), 30 (12), 2317-19, causi
Spectra muaj
1h nmr
Qho hnyav
Cov khoom muaj |
Kev muaj txuj Ci |
Tshuaj |
Ceev |
Ncauj lus di ncauj |
Cov qauv muaj feem xyuam |
Thermal |
Kev muaj txuj Ci
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 7.37 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.37 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.37 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.37 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.37 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.37 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.37 | pH 7; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 7.37 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.33 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6.94 | pH 10; Temp: 25 ° C | (1) ACD |
logd | -0.94 | PH 1; Temp: 25 ° C | (1) ACD |
logd | -0.94 | PHA 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 | p.c; 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 |
lub cim | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 371 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 392 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 371 g / l | Unbuffered dej pH 5.53; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.41 Mol / L | Temp: 25 ° C | (1) ACD |
Raug solubility | 1.41 Mol / L | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.41 Mol / L | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.41 Mol / L | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.41 Mol / L | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.41 Mol / L | PH 5; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus | |
Raug solubility | 1.41 Mol / L | p.c; Temp: 25 ° C | (1) ACD | |
Raug solubility | 1.41 Mol / L | pH 7; Temp: 25 ° C | (1) ACD | |
Raug solubility | 1.41 Mol / L | PH 8; Temp: 25 ° C | (1) ACD | |
Raug solubility | 1.41 Mol / L | PH 9; Temp: 25 ° C | (1) ACD | |
Raug solubility | 1.49 mol / l | pH 10; Temp: 25 ° C | (1) ACD | |
Raug solubility | 1.41 Mol / L | Unbuffered dej pH 5.53; Temp: 25 ° C | (1) ACD | |
Molecular hnyav | 2635 | |||
pa kua muag | 11.20 ± 0.20 | Feem ntau acidic temp: 25 ° C | (1) ACD | |
pa kua muag | -2.24 ± 0.40 | Feem ntau cov sam luam: 25 ° C | (1) ACD | |
Vapor siab | 1.29 x 10-20 | Torrter | Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Ceev | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 174.8 ± 5.0 CM3 / Mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Dawb doatable bonds | 2 | (1) ACD | |
H neeg txais | 6 | (1) ACD | |
H pub dawb | 1 | (1) ACD | |
H pub dawb / txais nyiaj | 7 | (1) ACD | |
lub cim | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 2635 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Polar Thaj Chaw Thaj Chaw | 83.9 A2 | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Thermal
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Kub taw tes | 666.6 ± 55.0 ° C | XOVXWM: 760 Torr | (1) ACD |
Enthalpy ntawm vaporization | 112.17 ± 6.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
Flash point | 357.0 ± 31.5 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR
Txoj cai | Cov lus sib haum | Lub hauv paus |
H319 | Ua rau muaj kev txob txob loj muag | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
H302 | Muaj teeb meem yog nqos | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
Cov ntaub ntawv ua lag luam tsis pub lwm tus paub: Pej xeem
Kev tswj cov lus qhuab qhia | ||
(S) -4-Ethyl-4-Hydroxy-4-Hydrodo-1H-pyranno (3,4-f) Indolizine-3,6,10 (4h) -trione | - | Tus fai fab |
(S) -4-Ethyl-4-Hydroxy-7,8-dhydro-1h-pyranno [3,4-f] Indolizine-3,6,10 (4h) -trione | - | Tus fai fab |
(S) -4-ethyl-4-hydroxy-7,8-pyyro-1h-pyyro-1h-pyyro (3,4-f) indolizin-3,6,10 (4h) -T | - | Danish, German |
(S) -4-Ethyl-4-Hydroxy-7,8-pyyro-1H-pyyro-1h-pyyro (3,4-f) Indolizine-3,6,10 (4h) -T | - | Hoob |
(S) -4-Ethyl-4-Hydroxy-7,8-dhydro-1h-pyyro-1h-pyyro [3,4-f] indolizin-3,6,10 (4h) -10) | - | Danish, German |
(S) -4-Ethyl-4-Hydroxy-7,8-pyyro-1h-pyyro-1h-pyyro-1h-pyyro [3,4-f] Indolizine-3,6,10 (4h) -Trion | - | Hoob |
(S) -4-Ethyl-4-Hydroxy-7,8-awsdro-1h-pyyro-1h-pyyro-1h-pyyro [3,4-f] Indolizine-3,6,10 (4h) -trione | - | - |
(S) -4-liil-4-hidroxi-7,8-diroxi-7,8-li teb-roj (3,4-f) indolizina-3,6,10 (4h) -triona | - | Portuguese, Spanish |
(S) -4-liil-4-hidroxi-7,8-diroxi-7,8-pirano-1h-pirano [3,4-f] indolizina-3,6,10 (4h) -triona | - | Portuguese, Spanish |
(S) -4-etil-4-idrossi-7,8-diidro-1h-pirano (3,4-f) indolizin-3,6,10 (4h) -trione | - | Tus Italis |
(S) -4-liter-4-IDrossi-7,8-diidro-1h-pirano [3,4-f] indolizin-3,6,10 (4h) -trione | - | Tus Italis |
(S) -4-etyl-4-hydroxi-7,8-pyyro-1h-pyyro-1h-pyyro (3,4-f) indolizin-3,6,10 (4h) -Trion | - | Swedish |
(S) -4-etyl-4-hydroxi-7,8-Dihydro-1h-pyyro-1h-pyyro-1h-pyyro [3,4-f] indolizin-3,6,10 (4h) -Trion | - | Swedish |
(S) -4-eryyli-4-hydroksi-7,8-pyyro-1h-pyyro-1h-pyyro (3,4-f) Indolitsiini-3,6,10 (4th) -trioni | - | Finnish |
(S) -4-eryyli-4-hydroksi-7,8-ilokyro-1h-pyyro-1h-pyyro-1,4-f] indolitsiini-3,6) -trioni | - | Finnish |
Cov ntsiab lus los ntawm lub teb chaws / thoob ntiaj teb & Lwm cov npe
Sib raug zoo twv cov code code: 293499 lub teb chaws / cheeb tsam cov ntaub ntawv muaj
European Union Cov Ntsiab Lus
EU chij
EU kev lis kev cai CN: 29349990