![L-ORNITHINAMIDE, L-VALL-N5- (aminocarbonyl) -N- [4- (HydroxyMethyl) Phenyl] - (9CI, ACI) H335, H319, H315, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-ORNITHINAMIDE, L-VALYL-N5- (aminocarbonyl) -N- [4- (HydroxyMethyl) Phenyl] - (9CI, ACI) H335, H319, H315, H302 Wêne Taybet](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-ORNITHINAMIDE, L-VALL-N5- (aminocarbonyl) -N- [4- (HydroxyMethyl) Phenyl] - (9CI, ACI) H335, H319, H315, H302
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 379.45 | - |
| Point Point (texmîn kirin) | 715.0 ± 60.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.243 ± 0.06 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 13.75 ± 0.46 | Temana herî acid: 25 ° C |
Smiles canonical o = c (n) ncccc (nc (= o) c (n) c (c) c) c (= o) nc1 = cc = c (c = c1) co
Isomeric smiles [c @@ h] ([c @ h] (c (c) c) n) = o) (c (nc1 = cc = c = c1) = O) = o
Inchi
Inchi = 1s / c18h29n5o4 / c1-11 (2) 23-14 (20) 23-14 (27-13-7-5-12 (10-24) 6-8,11,14-15,24h, 3-4,9-19,19 H2,1-2H3, (H, 22,25) (H, 23,26) (H3,20,21,27) / T14-, 15- / M0 / S1
Keyeya Inchi
VeggtwZUzZkhy-Gjzgruslsa-N
4 navên din ên ji bo vê madeyê
L-Valyl-N5- (aminocelbarbonyl) -N- [4- (hydroxymetethyl) Phenyl] -L-ORNITHINAMIDE (ACI); 1: pn: WO2023061224 Rûpel: 34 rêziknameya îdîa; Valine-citulline-p-Aminobenzylcarbamate; VC-PAB
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
| Thermal |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| 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 |
| Mal | Giranî | Rewş | Kanî |
| 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 |
| Solubilityê dorpêçkirî ya girseyî | 1.6 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1000 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1000 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1000 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1000 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1000 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 220 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 26 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.2 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.9 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.6 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.6 g / l | Wateriyayê Unbuffered PH 9.89; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a 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 |
| Mal | Giranî | Rewş | Kanî |
| 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 | Wateriyayê Unbuffered PH 9.89; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 379.45 | ||
| pka | 13.75 ± 0.46 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 8.19 ± 0.33 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 1.86 x 10-21 Torr | Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.243 ± 0.06 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 305.2 ± 3.0 cm3 / mol | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 12 | (1) ACD | |
| H qebûlkar | 9 | (1) ACD | |
| H Donors | 8 | (1) ACD | |
| H Donor / Qedexe | 17 | (1) ACD | |
| logp | -0.354 ± 0.602 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 379.45 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 160 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Mal | Giranî | Rewş | Kanî |
| Xala zirav | 715.0 ± 60.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 109.72 ± 3.0 kj / mol | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 386.2 ± 32.9 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
| Navê dizî | Daxuyaniya Hazard | Kanî |
| H335 | Dibe ku bibe sedema acizbûna respirasyonê | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
| H319 | Dibe sedema acizkirina çavê ciddî | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
| H315 | Dibe sedema acizkirina çerm | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
| H302 | Heke guhêrbar bibe zerar | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
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