![L-ornitinamid, L-Valyl-N5- (Aminocarbonyl) -N- [4- (Hydroxymethyl) fenil]-(9CI, ACI) H335, H319, H315, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-ornitinamid, L-Valyl-N5- (Aminocarbonyl) -N- [4- (Hydroxymethyl) fenil]-(9CI, ACI) H335, H319, H315, H302 chin an tap Imaj](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-ornitinamid, L-Valyl-N5- (Aminocarbonyl) -N- [4- (Hydroxymethyl) fenil]-(9CI, ACI) H335, H319, H315, H302
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 379.45 | - |
| Pwen bouyi (prevwa) | 715.0 ± 60.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.243 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 13.75 ± 0.46 | Pifò asid tanperati: 25 ° C |
Souri kanonyal O = C (N) NCCCC (NC (= O) C (N) C (C) C) C (= O) NC1 = CC = C (C = C1) CO
Souri izomerik [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) 27) H2,1-2H3, (H, 22,25) (H, 23,26) (H3,20,21,27)/T14-, 15-/m0/s1
Inchi kle
Veggtwzuzgzkhy-gjzgruslsa-n
4 Lòt non pou sibstans sa a
L-valyl-N5- (Aminocarbonyl)-N-[4- (hydroxymethyl) fenil] -l-ornithinamide (ACI); 1: PN: WO2023061224 Paj: 34 sekans reklame; Valine-citrulline-p-Aminobenzylcarbamate; VC-PAB
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 6.00 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 13.2 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 15.0 | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | -3.53 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | -3.46 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | -3.45 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | -3.42 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | -3.20 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | -2.50 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | -1.57 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | -0.76 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | -0.42 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | -0.36 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | -0.354 ± 0.602 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 1.6 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 1000 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1000 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1000 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1000 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1000 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 220 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 26 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.2 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.9 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.6 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.6 g/l | PH dlo unbuffered 9.89; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 4.2 x 10-3 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.64 mol/L | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.64 mol/L | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.64 mol/L | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.64 mol/L | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.64 mol/L | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.59 mol/L | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.069 mol/L | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.011 mol/L | pH 8; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 4.9 x 10-3 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.3 x 10-3 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.3 x 10-3 mol/l | PH dlo unbuffered 9.89; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 379.45 | ||
| pka | 13.75 ± 0.46 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 8.19 ± 0.33 | Pifò debaz tanperati: 25 ° C | (1) ACD |
| Presyon vapè | 1.86 x 10-21 Torr | Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.243 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 305.2 ± 3.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 12 | (1) ACD | |
| H akseptab | 9 | (1) ACD | |
| H donatè | 8 | (1) ACD | |
| H donatè/aksepte sòm | 17 | (1) ACD | |
| logp | -0.354 ± 0.602 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 379.45 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 160 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen bouyi | 715.0 ± 60.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 109.72 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 386.2 ± 32.9 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
| Kòd | Deklarasyon danje | Sous |
| H335 | Ka lakòz iritasyon respiratwa | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
| H319 | Lakòz iritasyon je grav | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
| H315 | Lakòz iritasyon po | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
| H302 | Danjere si vale | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
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