![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 Featured Image](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5- (aminocarbonyl) -N-[4- (hydroxymethyl) phenyl] - (9CI, ACI) H335, H319, H315, H302
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 379.45 | - |
| Wurin tafasa (An annabta) | 715.0± 60.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.243± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 13.75± 0.46 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
Isomeric SMILES [C@@H](NC([C@H](C(C)C)N)=O)(C(NC1=CC=C(CO)C=C1)=O)CCCCNC(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
InChi Key
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Wasu Sunaye na wannan Abu
L-Valyl-N5 (aminocarbonyl)N- [4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI); 1: PN: WO2023061224 SHAFI: 34 da'awar jeri; Valine-Citrulline-p- Aminobenzylcarbamate; Vc-PAB
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1.0 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 1.0 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.0 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.0 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.0 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.0 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.0 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6.00 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 13.2 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 15.0 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| logD | -3.53 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | -3.46 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | -3.45 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | -3.42 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | -3.20 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | -2.50 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | -1.57 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.76 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.42 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.36 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | -0.354±0.602 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.6 g/l | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1000 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1000 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1000 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1000 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1000 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 220 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 26 g/l | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 g/l | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.9 g/l | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.6 g/l | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.6 g/l | Ruwan da ba a buguwa pH 9.89; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 4.2 x 10-3 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.64 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.64 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.64 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.64 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.64 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 0.59 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 0.069 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 0.011 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 4.9 x 10-3 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.3 x 10-3 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.3 x 10-3 mol/L | Ruwan da ba a buguwa pH 9.89; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 379.45 | ||
| pKa | 13.75± 0.46 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | 8.19± 0.33 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
| Ruwan Ruwa | 1.86 x 10-21 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.243± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 305.2± 3.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 12 | (1) ACD | |
| H Masu karɓa | 9 | (1) ACD | |
| H Masu Ba da taimako | 8 | (1) ACD | |
| H Donor/Acceptor Sum | 17 | (1) ACD | |
| logP | -0.354±0.602 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 379.45 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 160 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Wurin Tafasa | 715.0± 60.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 109.72± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 386.2± 32.9 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
| Lambar | Bayanin Hazard | Source |
| H335 | Zai iya haifar da haushin numfashi | Ƙididdiga & Lakabi na Ƙungiyar Turai (ECHA) Rarraba & Lakabi - Sanarwa Rabewa da Lakabi - sanarwar da aka fi sani, Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) Rarraba & Lakabin Lakabi - Faɗakarwa da lakabi - sanarwa mafi mahimmanci |
| H319 | Yana haifar da tsananin haushin ido | Ƙididdiga & Lakabi na Ƙungiyar Turai (ECHA) Rarraba & Lakabi - Sanarwa Rabewa da Lakabi - sanarwar da aka fi sani, Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) Rarraba & Lakabin Lakabi - Faɗakarwa da lakabi - sanarwa mafi mahimmanci |
| H315 | Yana haifar da haushin fata | Ƙididdiga & Lakabi na Ƙungiyar Turai (ECHA) Rarraba & Lakabi - Sanarwa Rabewa da Lakabi - sanarwar da aka fi sani, Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) Rarraba & Lakabin Lakabi - Faɗakarwa da lakabi - sanarwa mafi mahimmanci |
| H302 | Mai cutarwa idan an hadiye shi | Ƙididdiga & Lakabi na Ƙungiyar Turai (ECHA) Rarraba & Lakabi - Sanarwa Rabewa da Lakabi - sanarwar da aka fi sani, Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) Rarraba & Lakabin Lakabi - Faɗakarwa da lakabi - sanarwa mafi mahimmanci |
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