![L-Ornithinamide, L-Valyl-N5- (AminocarbonyL) -N- [4- (Hydroxymeth) 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- (Hydroxymhyl) Phenyl] - (9ci, aci) H335, H319, H315, H302 Featured ôfbylding](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-Valyl-N5- (AminocarbonyL) -N- [4- (Hydroxymeth) Phenyl] - (9ci, aci) H335, H319, H315, H302
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 379.45 | - |
| Siedend punt (foarsizze) | 715.0 ± 60,0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 1.243 ± 0,06 G / CM3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 13,75 ± 0.46 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c (n) ncccc (nc (= o) c (n) c (c) c) c (= o) nc1 = cc = c (c = c1) cO
Isomeryske glimkes [c @@ h] (NC ([c @ h] (c (c) c) n) = o) (c (nc1 = cc = c (c1) = o) cccnc (n) = o
Inchi
Inchi = 1s / c18h2n5o4 / c1-11 (2) 15 (19) 17 (26) 23 (26) 23) 16 (25) 22-13-8 (10-24-13 / H5-8,11,14-15,24h, 3-4.9,24, 0 H2,1-2H3, (H, 22,25) (H, 23,26) (H3,20,272) / t14-, 15- / m0 / s1
Inchi-kaai
Veggtwzuzgzzkhy-gjzgruslsa-n
4 oare nammen foar dizze substansje
L-valyl-N5- (Aminocarbonyl) -N- [4- (hydroxymethyl) fenyl] -l-orknithinamide (aci); 1: PN: WO2023061224 Page: 34 Claimed Sequence; Valine-citrulline-p-AminebenzyLcarbamate; VC-PAB
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
| Thermal |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 6.00 oere | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 13.2 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 15.0 | pH 10; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Logd | -3.53 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | -3.46 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | -3.45 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | -3.42 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | -3.20 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | -2.50 | pH 6; 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 |
| Logp | -0.354 ± 0.602 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 1,6 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1000 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1000 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1000 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1000 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1000 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 220 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 26 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4.2 G / L | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.9 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,6 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,6 g / l | Unbuffered water pH 9.89; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 4.2 x 10-3 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.64 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.64 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.64 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.64 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.64 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.59 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,069 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.011 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 4.9 x 10-3 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.3 x 10-3 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.3 x 10-3 Mol / L | Unbuffered water pH 9.89; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 379.45 | ||
| pka | 13,75 ± 0.46 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 8,19 ± 0.33 | Meast basic temp: 25 ° C | (1) ACD |
| Dampdruk | 1.86 X 10-21 TORR | Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1.243 ± 0,06 G / CM3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 305.2 ± 3.0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 12 | (1) ACD | |
| H akseptearders | 9 | (1) ACD | |
| H Donors | 8 | (1) ACD | |
| H Donor / akseptearje SUM | 17 | (1) ACD | |
| Logp | -0.354 ± 0.602 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 379.45 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 160 A2 | (1) ACD | |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Thermal
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 715.0 ± 60,0 ° C | Parse: 760 Torr | (1) ACD |
| Enthalpy fan Vaporization | 109.72 ± 3.0 kj / mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 386.2 ± 32,9 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR
| Koade | Gefaarferklearring | Boarne |
| H335 | Kin respiratoire irritaasje feroarsaakje | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
| H319 | Feroarsaket serieuze eachirritaasje | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
| H315 | Feroarsaket hûdirritaasje | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
| H302 | Skealik as swalke | European Chical Agency (Echa) Klassifikaasje en etikettering - Untfangende klassifikaasje en etikettering, European chealifications, Europyske ynventarisaasje - ynventarisaasje - notified klassifikaasje en etiketternijen en etiketternijen |
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