![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 Aworan Ti a ṣe afihan](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] - (9CI, ACI) H335, H319, H315, H302
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 379.45 | - |
| Oju Ise (Asọtẹlẹ) | 715,0 ± 60,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,243 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 13.75 ± 0.46 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
SMILES Isomeric [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-GJZGRULSA-N
4 Awọn orukọ miiran fun nkan yii
L-Valyl-N5-(aminocarbonyl)N-[4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI); 1: PN: WO2023061224 OJẸ: 34 ti a beere ọkọọkan; Valine-CitrullinepAminobenzylcarbamate; Vc-PAB
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
| Gbona |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | -3.53 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | -3.46 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | -3.45 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | -3.42 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | -3.20 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | -2.50 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.57 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.76 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.42 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.36 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | -0.354 ± 0.602 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1.6 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1000 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1000 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1000 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1000 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1000 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 220 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 26 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.2 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.9 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.6 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.6 g/L | Omi ti a ko fi silẹ pH 9.89; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 4.2 x 10-3 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.64 milimita / L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.64 milimita / L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.64 milimita / L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.64 milimita / L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.64 milimita / L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.59 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.069 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.011 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 4.9 x 10-3 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.3 x 10-3 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.3 x 10-3 mol/L | Omi ti a ko fi silẹ pH 9.89; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 379.45 | ||
| pKa | 13.75 ± 0.46 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 8.19 ± 0.33 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
| Oru Ipa | 1,86 x 10-21 Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,243 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 305,2 ± 3,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 12 | (1) ACD | |
| H Awọn olugba | 9 | (1) ACD | |
| H Awọn oluranlọwọ | 8 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 17 | (1) ACD | |
| logP | -0.354 ± 0.602 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 379.45 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 160 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami farabale | 715,0 ± 60,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 109,72 ± 3,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 386,2 ± 32,9 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
| Koodu | Gbólóhùn ewu | Orisun |
| H335 | Le fa ibinu ti atẹgun | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
| H319 | O fa ibinu oju pataki | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
| H315 | O fa ibinu awọ ara | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
| H302 | Ipalara ti o ba gbemi | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
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