![L-Onithinamide, L-valyl-N5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenil] - (9CI, ACI) H335, H319, H315, H302, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-Onithinamide, L-valyl-N5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenil] - (9CI, ACI) H335, H319, H315, H302 immaġni dehru](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Onithinamide, L-valyl-N5- (aminocarbonyl) -n- [4- (hydroxymethyl) fenil] - (9CI, ACI) H335, H319, H315, H302, H302
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 379.45 | - |
| Punt tat-togħlija (imbassar) | 715.0 ± 60.0 ° C. | Agħfas: 760 Torr |
| Densità (prevista) | 1.243 ± 0.06 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 13.75 ± 0.46 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C (n) NCCCC (NC (= O) C (N) C (C) C) C (= O) NC1 = CC = C (C = C1) CO
Tbissem isomeriku [c @@ h] (nc ([c @ h] (c (c) c) n) = o) (c (nc1 = cc = c (co) c = c1) = o) cccnc (n) = o
Inchi
INCHI = 1S / C18H29N5O4 / C1-11 (2) 15 (19) 17 (26) 23-14 (4-3-9-21-18 (20) 27) 16 (25) 22-13-7-5-12 (10-24 (10-24) 6-8-8-13 / H5-8,11,14-15,24H, 3-4,9-10,19 H2,1-2H3, (h, 22,25) (h, 23,26) (H3,20,21,27) / t14-, 15- / m0 / s1
INCHI Key
Veggtwzuzgzkhy-gjzgruslsa-n
4 ismijiet oħra għal din is-sustanza
L-valyl-N5- (aminokarbonil) -N- [4- (hydroxymethyl) fenil] -L-Onithinamide (ACI); 1: PN: WO2023061224 Paġna: 34 sekwenza mitluba; Valine-citrulline-p-Aminobenzylcarbamate; VC-PAB
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
| Termali |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| 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 |
| Proprjetà | Valur | Kundizzjoni | Sors |
| 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 |
| Solubilità intrinsika tal-massa | 1.6 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1000 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1000 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1000 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1000 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1000 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 220 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 26 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.2 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.9 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.6 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.6 g / l | PH tal-ilma mhux imballat 9.89; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 4.2 x 10-3 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.64 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.64 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.64 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.64 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.64 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.59 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.069 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.011 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 4.9 x 10-3 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.3 x 10-3 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.3 x 10-3 mol / l | PH tal-ilma mhux imballat 9.89; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 379.45 | ||
| PKA | 13.75 ± 0.46 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 8.19 ± 0.33 | L-iktar temp bażiku: 25 ° C | (1) ACD |
| Pressjoni tal-fwar | 1.86 x 10-21 Torr | Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.243 ± 0.06 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 305.2 ± 3.0 cm3 / mol | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 12 | (1) ACD | |
| H aċċettaturi | 9 | (1) ACD | |
| H donaturi | 8 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 17 | (1) ACD | |
| logp | -0.354 ± 0.602 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 379.45 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Erja tal-wiċċ polari | 160 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-togħlija | 715.0 ± 60.0 ° C. | Agħfas: 760 Torr | (1) ACD |
| Entalpija tal-vaporizzazzjoni | 109.72 ± 3.0 kJ / mol | Agħfas: 760 Torr | (1) ACD |
| Punt flash | 386.2 ± 32.9 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spettri disponibbli
1H NMR
13C NMR
| Kodiċi | Dikjarazzjoni tal-Periklu | Sors |
| H335 | Jista 'jikkawża irritazzjoni respiratorja | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
| H319 | Tikkawża irritazzjoni serja fl-għajnejn | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
| H315 | Jikkawża irritazzjoni tal-ġilda | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
| H302 | Ta 'ħsara jekk tinbela' | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
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