![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 Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 379.45 | - |
| Lae paila (Wanamua) | 715.0±60.0 °C | Paʻi: 760 Torr |
| ʻO ka mānoanoa (Wanamua) | 1.243±0.06 g/cm3 | Maha: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 13.75±0.46 | ʻOi loa ka ʻakika: 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)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
InChI Ki
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Nā inoa ʻē aʻe no kēia mea
L-Valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI); 1: PN: WO2023061224 ʻAoʻao: 34 ʻōlelo i ʻōlelo ʻia; Valine-Citrulline-p-Aminobenzylcarbamate; Vc-PAB
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
| Māmā |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1.0 | pH 1; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 2; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 3; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 4; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 5; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 6; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 7; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 8; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 9; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 10; Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 1.0 | pH 1; Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Mahana: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Mahana: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Mahana: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| logD | -3.53 | pH 1; Mahana: 25 °C | (1) ACD |
| logD | -3.46 | pH 2; Mahana: 25 °C | (1) ACD |
| logD | -3.45 | pH 3; Mahana: 25 °C | (1) ACD |
| logD | -3.42 | pH 4; Mahana: 25 °C | (1) ACD |
| logD | -3.20 | pH 5; Mahana: 25 °C | (1) ACD |
| logD | -2.50 | pH 6; Mahana: 25 °C | (1) ACD |
| logD | -1.57 | pH 7; Mahana: 25 °C | (1) ACD |
| logD | -0.76 | pH 8; Mahana: 25 °C | (1) ACD |
| logD | -0.42 | pH 9; Mahana: 25 °C | (1) ACD |
| logD | -0.36 | pH 10; Mahana: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 1.6 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1000 g/L | pH 1; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1000 g/L | pH 2; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1000 g/L | pH 3; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1000 g/L | pH 4; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1000 g/L | pH 5; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 220 g/L | pH 6; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 26 g/L | pH 7; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.2 g/L | pH 8; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.9 g/L | pH 9; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.6 g/L | pH 10; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.6 g/L | Wai hoʻopaʻa ʻole pH 9.89; Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 4.2 x 10-3 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.59 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.069 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.011 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 4.9 x 10-3 mol/L | pH 9; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | pH 10; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-3 mol/L | Wai hoʻopaʻa ʻole pH 9.89; Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 379.45 | ||
| pKa | 13.75±0.46 | ʻOi loa ka ʻakika: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
| ʻO ke kaomi mahu | 1.86 x 10-21 Torr | Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.243±0.06 g/cm3 | Maha: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 305.2±3.0 knm3/mol | Maha: 20 °C; Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 12 | (1) ACD | |
| H Ka poe e ae | 9 | (1) ACD | |
| H Na kokua | 8 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 17 | (1) ACD | |
| logP | -0.354±0.602 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 379.45 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| Wahi Polar | 160 A2 | (1) ACD | |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 715.0±60.0 °C | Paʻi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 109.72±3.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 386.2±32.9 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
| Code | ʻŌlelo Hoʻopilikia | Puna |
| H335 | Hiki ke hoʻopilikia i ka hanu | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
| H319 | Hoʻopilikia koʻikoʻi ka maka | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
| H315 | Hoʻopilikia i ka ʻili | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
| H302 | Poino ke aleia | European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Hoʻomaopopo ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi. |
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