![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
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 379.45 | - |
| Boiling taw tes (kwv yees) | 715.0 ± 60.0 ° C | XOVXWM: 760 Torr |
| Ntom ntom (kwv yees) | 1.243 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 13.75 ± 0.46 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c (n) NCCCC (NC (n) c (n) NC4 = cc = c) c1) co
Isomeric smiles [c @@ h] (NC ([c @ h] (c) c) cc = c) c1) = o) ccccnc (n) = o
Tus hauv onei
Inchi = 1s / c18h29n5o4 / c1-11 (2) 18 (20) 23 (20) (20) (20) (20) (20) (20) (20) (20) (20,14h, 3-4,9-10,19 H2,1-2h3, (H, 22,25) (H, 23,26) (H3,20,27) / T14-, 15- / s1 / s1
Inchi tus yuam sij
Veggtwzuzgzkhy-gjzgruslsa-n
4 lwm lub npe rau cov khoom siv no
L-valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] -l-ornitinamide (ACI); 1: PN: Wo202306121224 Nplooj: 34 Txais cov nyiaj ua ntej; Valine-citruldine-p-AMinobenenzylcarbamate; Vc-pab
| Cov khoom muaj |
| Kev muaj txuj Ci |
| Tshuaj |
| Ceev |
| Ncauj lus di ncauj |
| Cov qauv muaj feem xyuam |
| Thermal |
Kev muaj txuj Ci
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | PHA 2; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | p.c; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Txhim hoom | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.0 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.0 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 6.00 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 13.2 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 15.0 | pH 10; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| logd | -3.53 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -3.46 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | -3.45 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | -42 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | -3.20 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 150 | p.c; 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 |
| lub cim | -0.354 ± 0.602 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 1.6 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 1000 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1000 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1000 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1000 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1000 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 220 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 26 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.2 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.9 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.6 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.6 g / l | Unbuffered dej pH 9.89; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 4.2 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.64 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.64 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.64 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.64 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.64 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Raug solubility | 0.59 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 0.069 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 0.011 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Raug solubility | 4.9 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Raug solubility | 4.3 x 10-3 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 4.3 x 10-3 mol / l | Unbuffered dej pH 9.89; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 379.45 | ||
| pa kua muag | 13.75 ± 0.46 | Feem ntau acidic temp: 25 ° C | (1) ACD |
| pa kua muag | 8.19 ± 0.33 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
| Vapor siab | 1.86 x 10-21 torr | Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Ceev | 1.243 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 305.2 ± 3.0 cm3 / mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Dawb doatable bonds | 12 | (1) ACD | |
| H neeg txais | 9 | (1) ACD | |
| H pub dawb | 8 | (1) ACD | |
| H pub dawb / txais nyiaj | 17 | (1) ACD | |
| lub cim | -0.354 ± 0.602 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 379.45 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Polar Thaj Chaw Thaj Chaw | 160 A2 A2 A2 A2 | (1) ACD | |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Kub taw tes | 715.0 ± 60.0 ° C | XOVXWM: 760 Torr | (1) ACD |
| Enthalpy ntawm vaporization | 109.72 ± 3.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
| Flash point | 386.2 ± 32.9 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR
| Txoj cai | Cov lus sib haum | Lub hauv paus |
| H335 | Tej zaum yuav ua pa ua pa | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
| H319 | Ua rau muaj kev txob txob loj muag | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
| H315 | Ua kom tawv nqaij voos | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
| H302 | Muaj teeb meem yog nqos | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
Sau koj cov lus ntawm no thiab xa mus rau peb
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