L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
Key Force Properties | Kukosha | Mamiriro |
Sreek inoremerwa | 379.45 | - |
Boiling Point (yakafanotaurwa) | 715.0 × 60.0 ° C | Press: 760 Torr |
Density (yakafanotaurwa) | 1.243 × 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (akafanotaura) | 13.75 × 0.46 | Yakawanda Acadic Temp: 25 ° C |
Canonical Smiles O = C (N) NCCC (NC (NC (NC) C (C) C (C) C (C) NC1 = CC = C (C = CC = C (C = CC
Isomeric inonyemwerera [c @ h] (nc (c @ h] (c (c) c) n) = o)
Ichi
Inchi = 1S / C18H29N5O4 / C1-11 (2) 15-14 (4-39-9-9-7-7-7-7-16 / 6-4-16 H2,1-2H3, (H, 22,25) (H, 23,26) (H3,20,21,27) / T14- / M0 / S1
Inchi kiyi
Veggtwzuzgzhy-gjzgruslssa-n
Mamwe mazita echinhu ichi
Llyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] -l-ornithinamide (ACI); 1: PN: WO2023061224 Peji: 34 inotsikirirwa; Valine-citrulline-p-Aminobenzylbarbamate; VC-PAB
Zvivakwa zviripo |
Biological |
CHEMICAL |
Density |
Lipininski |
Chimiro chakabatana |
Thermal |
Biological
Chivakwa | Kukosha | Mamiriro | Kunobva |
Bioconentice Factor | 1.0 | ph 1; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph 2; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph 3; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph 4; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph 5; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph 6; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph7; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph:; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph 9; Temp: 25 ° C | (1) ACD |
Bioconentice Factor | 1.0 | Ph 10; Temp: 25 ° C | (1) ACD |
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CHEMICAL
Chivakwa | Kukosha | Mamiriro | Kunobva |
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 | Ph7; Temp: 25 ° C | (1) ACD |
Koc | 6.00 | Ph:; 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 |
Chivakwa | Kukosha | Mamiriro | Kunobva |
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 | Ph7; Temp: 25 ° C | (1) ACD |
Logd | -0.76 | Ph:; 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 |
Misa intrinsic solubility | 1.6 g / l | Temp: 25 ° C | (1) ACD |
Misa Solubility | 1000 G / L | ph 1; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1000 G / L | Ph 2; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1000 G / L | Ph 3; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1000 G / L | Ph 4; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1000 G / L | Ph 5; Temp: 25 ° C | (1) ACD |
Misa Solubility | 220 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
Misa Solubility | 26 g / l | Ph7; Temp: 25 ° C | (1) ACD |
Misa Solubility | 4.2 g / l | Ph:; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.9 G / L | Ph 9; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.6 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
Misa Solubility | 1.6 g / l | Isina kuvharwa mvura ph 9.89; Temp: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 4.2 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
Moul solubility | 2.64 Mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Moul solubility | 2.64 Mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
Moul solubility | 2.64 Mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
Moul solubility | 2.64 Mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
Moul solubility | 2.64 Mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
Moul solubility | 0.59 mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
Moul solubility | 0.069 mol / l | Ph7; Temp: 25 ° C | (1) ACD |
Moul solubility | 0.011 Mol / l | Ph:; Temp: 25 ° C | (1) ACD |
Chivakwa | Kukosha | Mamiriro | Kunobva |
Moul solubility | 4.9 x 10-3 mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
Moul solubility | 4.3 x 10-3 mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
Moul solubility | 4.3 x 10-3 mol / l | Isina kuvharwa mvura ph 9.89; Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 379.45 | ||
Pka | 13.75 × 0.46 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
Pka | 8.19 ± 0.33 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
Vapor kumanikidzwa | 1.86 x 10-21 Torr | Temp: 25 ° C | (1) ACD |
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Density
Chivakwa | Kukosha | Mamiriro | Kunobva |
Density | 1.243 × 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Malal vhoriyamu | 305.2 × 3.0 CM3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
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Lipininski
Chivakwa | Kukosha | Mamiriro | Kunobva |
Zvisikwa zvakasununguka zvinosununguka | 12 | (1) ACD | |
H Acceltors | 9 | (1) ACD | |
H Vanopa | 8 | (1) ACD | |
H Anopa / Mugamuchire Sum | 17 | (1) ACD | |
logp | -0.354 × 0.602 | Temp: 25 ° C | (1) ACD |
Sreek inoremerwa | 379.45 |
.
Chimiro chakabatana
Chivakwa | Kukosha | Mamiriro | Kunobva |
Polar Pource Area | 160 A2 | (1) ACD |
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Thermal
Chivakwa | Kukosha | Mamiriro | Kunobva |
Boiling Point | 715.0 × 60.0 ° C | Press: 760 Torr | (1) ACD |
Enthalpy yeVaporization | 109.72 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
Flash Pfungwa | 386.2 ± 32.9 ° C | (1) ACD |
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Spectra inowanikwa
1h Nmr
13c NMR
Kodhi | Thazard Chirevo | Kunobva |
H335 | Inogona kukonzera kutsamwisa kutsamwisa | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |
H319 | Inokonzera zvakakomba ziso kutsamwisa | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |
H315 | Inokonzeresa kushatirwa kweganda | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |
H302 | Zvinokuvadza kana wamedza | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |
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