![L-Ornithinamide, L-valyl-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 Umfanekiso ofakiweyo](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 379.45 | - |
| Indawo yokuBila (Kuqikelelwe) | 715.0±60.0 °C | Cinezela: 760 Torr |
| Ukuxinana (Kuqikelelwe) | 1.243±0.06 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 13.75±0.46 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
UNCUMO LWEIsomeric [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)2 7)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
Isitshixo se-InchI
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Amanye Amagama ale nto
L-Valyl-N5-(aminocarbonyl)-N- [4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI); 1: PN: WO2023061224 IPHEPHA: 34 ibango lolandelelwano; IValine-Citrulline-p-Aminobenzylcarbamate; Vc-PAB
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo olunxulumeneyo |
| Thermal |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1.0 | pH 1; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 2; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 3; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 4; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 8; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 9; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 1.0 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| logD | -3.53 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | -3.46 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | -3.45 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | -3.42 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | -3.20 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | -2.50 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | -1.57 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | -0.76 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | -0.42 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | -0.36 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 1.6 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1000 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1000 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1000 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1000 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1000 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 220 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 26 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.2 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.9 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.6 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 1.6 g/L | Amanzi angaphazanyiswanga pH 9.89; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 4.2 x 10-3 mol / L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.64 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.64 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.64 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.64 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 2.64 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 0.59 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 0.069 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 0.011 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 4.9 x 10-3 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 4.3 x 10-3 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 4.3 x 10-3 mol/L | Amanzi angaphazanyiswanga pH 9.89; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 379.45 | ||
| pKa | 13.75±0.46 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
| Uxinzelelo lomphunga | 1.86 x 10-21 Torr | Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.243±0.06 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 305.2±3.0 cm3/mol | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 12 | (1) ACD | |
| H Abamkeli | 9 | (1) ACD | |
| H Abaxhasi | 8 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 17 | (1) ACD | |
| logP | -0.354±0.602 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 379.45 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo olunxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 160 A2 | (1) ACD | |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokubilisa | 715.0±60.0 °C | Cinezela: 760 Torr | (1) ACD |
| I-Enthalpy yoMphunga | 109.72±3.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
| Indawo yokuflasha | 386.2±32.9 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
| Ikhowudi | Ingxelo yobungozi | Umthombo |
| H335 | Inokubangela ukucaphuka kokuphefumla | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
| H319 | Ibangela ukucaphuka kwamehlo okunzulu | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
| H315 | Ibangela ukucaphuka kwesikhumba | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
| H302 | Kuyingozi ukuba iginyiwe | I-Arhente yeMichiza yaseYurophu (i-ECHA) yoHlelo kunye noLwabiwo lweZintlu zokuFakwa - ulwahlulo olwaziswayo kunye nokuleyibhelishwa - uninzi lwezaziso ezixhaphakileyo, i-Arhente yeMichiza yaseYurophu (ECHA) UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibheli-izaziso ezinzulu kakhulu |
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