![L-ornitinamid, L-valyl-N5-(aminokarbonil)-N-[4-(idroksimetil) fenil]- (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 Features Imaj](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-ornitinamid, L-valyl-N5-(aminokarbonil)-N-[4-(idroksimetil) fenil]- (9CI, ACI) H335, H319, H315, H302
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 379,45 | - |
| Pwen bouyi (Prevwa) | 715.0±60.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 1.243±0.06 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 13.75±0.46 | Tanperati ki pi asid: 25 °C |
Canonical SMILES 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)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 kle
VEGGTWZUZZGZKHY-GJZGRUSLSA-N
4 Lòt Non pou sibstans sa a
L-Valyl-N5-(aminokarbonil)-N-[4-(idroksimetil)fenil]-L-ornitinamid (ACI);1: PN: WO2023061224 PAJ: 34 reklame sekans;valine-sitrulin-p-Aminobenzylcarbamate;Vc-PAB
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 1;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 2;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 3;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 4;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 7;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 1.0 | pH 1;Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2;Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6;Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7;Tanperati: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8;Tanperati: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| logD | -3.53 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | -3.46 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | -3.45 | pH 3;Tanperati: 25 °C | (1) ACD |
| logD | -3.42 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | -3.20 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | -2.50 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | -1.57 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | -0.76 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | -0.42 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | -0.36 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | -0.354±0.602 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 1.6 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1000 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1000 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1000 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1000 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1000 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 220 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 26 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.9 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.6 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.6 g/L | Dlo san tampon pH 9.89;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 4.2 x 10-3 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.64 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.64 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.64 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.64 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.64 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.59 mol/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.069 mol/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.011 mol/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 4.9 x 10-3 mol/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 4.3 x 10-3 mol/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 4.3 x 10-3 mol/L | Dlo san tampon pH 9.89;Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 379,45 | ||
| pKa | 13.75±0.46 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
| Presyon vapè | 1.86 x 10-21 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.243±0.06 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 305.2±3.0 cm3/mol | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 12 | (1) ACD | |
| H Aseptè | 9 | (1) ACD | |
| H Donatè | 8 | (1) ACD | |
| H Sòm donatè/akseptè | 17 | (1) ACD | |
| logP | -0.354±0.602 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 379,45 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 160 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 715.0±60.0 °C | Press: 760 Torr | (1) ACD |
| Entalpi nan Vaporizasyon | 109.72±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 386.2±32.9 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
| Kòd | Deklarasyon danje | Sous |
| H335 | Ka lakòz iritasyon respiratwa | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye klasifikasyon ak etikèt - notifikasyon ki pi grav. |
| H319 | Kòz iritasyon je grav | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye klasifikasyon ak etikèt - notifikasyon ki pi grav. |
| H315 | Kòz iritasyon po | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye klasifikasyon ak etikèt - notifikasyon ki pi grav. |
| H302 | Danjre si vale | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye klasifikasyon ak etikèt - notifikasyon ki pi grav. |
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