L-Onthinamide, L-vibral-N5- (Amelinosprbnown) - [4- (Hydroxymerthyl) H335, H315, H302, H302
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 379.45 | - |
| Puing goil (ro-innse) | 715.0 ± 60.0 ° C. | Brùth: 760 Torr |
| Dùmhlachd (ro-innse) | 1.243 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 13.75 ± 0.46 | Temp as searbhagach: 25 ° C. |
Bidh gàire canonical o = c (n) NCCCC (NC (= o) c (N) c (= o) nc1 = cc = c (c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c.)
Tha Isomeric a 'gàireachdainn [c @@] ([c (c (C (NC = C (N) = O) = O) = O) = o
Inchi
Inchi = 1s / c189H29N5O4 / C1-11 (2--24 (10-8-13-5 (10-8,2,2,9-10,19 H2,1-2h3, (H, 22,25) (H, 23,26) (H3,20,21,27) / t14-, 15- / m0 / s1
Iuchair Inchi
Veggetwzguzgzgzgzhy-gjzgrussa-n
4 Ainmean eile airson an stuth seo
L-valyl-N5- (AMINOSAPOSCONNOUNDYL) -N- [4- (hydroymemylyl) phiovenl] -l-eunlidamide (ACI); 1: PN: WARD230612212 Duilleag: 34 sreath a chaidh a ràdh; Càrrachas Valine-p-Aminobenzylbamate; Vc-pab
| 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 | 1.0 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 1.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 1.0 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 1.0 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 6.00 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 13.2 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 15.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logd | -3.53 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | -3.46 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | -3.45 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -3.42 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | -3.20 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | -2.50 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -1.57 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.76 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.42 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.36 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.354 ± 0.602 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 1.6 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1000 g / l | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1000 g / l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1000 g / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1000 g / l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1000 g / l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 220 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 26 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.2 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.9 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.6 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.6 G / L | Uisge PH :89; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 4.2 x 10-3 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.64 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.64 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.64 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.64 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.64 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.59 mol / l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.069 mol / l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 0.011 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 4.9 x 10-3 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.3 X 10-3 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.3 X 10-3 Mol / L. | Uisge PH :89; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 379.45 | ||
| paka | 13.75 ± 0.46 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | 8.19 ± 0.33 | Temp as bunaitiche: 25 ° C. | (1) ACD |
| Cuideam vapor | 1.86 x 10-21 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 | 1.243 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 305.2 ± 3.0 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 | 12 | (1) ACD | |
| Hrrairean | 9 | (1) ACD | |
| Hnors her | 8 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 17 | (1) ACD | |
| logp | -0.354 ± 0.602 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 379.45 |
(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 | 160 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 | 715.0 ± 60.0 ° C. | Brùth: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 109.72 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Puing Flash | 386.2 ± 32.9 ° 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 |
| H335 | Faodaidh e irioslachd analach adhbhrachadh | 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 |
| 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 |
| H315 | Ag adhbhrachadh mì-thoileachas craiceann | 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 |
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