![L-Ornithinamide, L-valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) fenyl] - (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) fenyl] - (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) fenyl] - (9CI, ACI) H335, H319, H315, H302
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 379.45 | - |
| Ingingo yo guteka (Biteganijwe) | 715.0 ± 60.0 ° C. | Kanda: 760 Torr |
| Ubucucike (Biteganijwe) | 1.243 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 13.75 ± 0.46 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C (N) NCCCC (NC (= O) C (N) C (C) C) C (= O) NC1 = CC = C (C = C1) CO
SMILES Isomeric [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) 6-8-13 / 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 Urufunguzo
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Andi mazina kuriyi ngingo
L-Valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI); 1: PN: WO2023061224 URUPAPURO: 34 byavuzwe bikurikiranye; Valine-Citrulline-p-Aminobenzylcarbamate; Vc-PAB
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
| Ubushyuhe |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1.0 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 1.0 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.0 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.0 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.0 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.0 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.0 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.0 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6.00 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 13.2 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 15.0 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| logD | -3.53 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -3.46 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -3.45 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -3.42 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -3.20 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -2.50 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -1.57 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.76 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.42 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.36 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | -0.354 ± 0.602 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 1.6 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1000 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1000 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1000 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1000 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1000 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 220 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 26 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.2 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.9 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.6 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.6 g / L. | Amazi adafite ingufu pH 9.89; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 4.2 x 10-3 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.64 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.64 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.64 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.64 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.64 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 0.59 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 0.069 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 0.011 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 4.9 x 10-3 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.3 x 10-3 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.3 x 10-3 mol / L. | Amazi adafite ingufu pH 9.89; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 379.45 | ||
| pKa | 13.75 ± 0.46 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 8.19 ± 0.33 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
| Umuvuduko w'umwuka | 1.86 x 10-21 Torr | Ubushyuhe: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.243 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 305.2 ± 3.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 12 | (1) ACD | |
| H Abakira | 9 | (1) ACD | |
| H Abaterankunga | 8 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 17 | (1) ACD | |
| logP | -0.354 ± 0.602 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 379.45 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 160 A2 | (1) ACD | |
.
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo | 715.0 ± 60.0 ° C. | Kanda: 760 Torr | (1) ACD |
| Umwuka wo guhumeka | 109.72 ± 3.0 kJ / mol | Kanda: 760 Torr | (1) ACD |
| Flash point | 386.2 ± 32.9 ° C. | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR
| Kode | Amagambo ya Hazard | Inkomoko |
| H335 | Birashobora gutera uburakari | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
| H319 | Bitera uburakari bukabije bw'amaso | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
| H315 | Bitera kurwara uruhu | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
| H302 | Byangiza niba byamizwe | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
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