L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
Key Dalili | Daraja | Sharaɗi |
Nauyi na kwayoyin | 379.45 | - |
Tafasa matsayi (annabta) | 715.0 ± 60 ° C | Latsa: 760 Torr |
Density (annabta) | 1.243 ± 0.06 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr |
Pka (annabta) | 13.75 ± 0.46 | Mafi yawan tempt: 25 ° C |
Canonical murmushi = c (n) ncccc (nc (o) c (n) c (n) c (= c) c (= o) c (= o) c (= o) c (= o) c (= o) c (= o) c (= o) c (= o) c (= o) c (= o) c
Murmushin Isomeric [C @ (NC (C (C) (C) C & C (C) = C1) = o) C = C1) C =
Inci
Inchi = 1s / c18h29n5o4 / c1-11 (2) 2-14 (20) 2-14 (20) 2-12 (20) 2-12 (20) 2-12 (20) 2-12 (20) 2-12 (20) 2-12. H2,1-2H3, (H, 22,25) (H, 23,26) (H3,20,21,21,21,21,21) / T14-, 15- / M0 / s1
Maɓallin Inchi
Vggtwzuzgzkhkhkhkan-gjzgrussa-n
4 sauran sunaye na wannan abu
L-valyl-N5- (Aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] -l-Ornithide (ACI); 1: PN: WO223061224 shafi: 34 sun yi da'awar jerin; Valine-Citrulline-p-Aminobenylcarcar; Vc-pab
Kayan da ake samu |
Nazarin halitta |
Na kemistri |
Yawa |
Lipinski |
Tsarin ya shafi |
Rashin ƙarfi |
Nazarin halitta
Dukiya | Daraja | Sharaɗi | Mafari |
Bayani na Bioconcentoration | 1.0 | pH 1; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 2; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 3; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | pH 4; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 5; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | pH 6; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 7; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 8; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 9; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.0 | PH 10; HATHI: 25 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Na kemistri
Dukiya | Daraja | Sharaɗi | Mafari |
Koc | 1.0 | pH 1; HATHI: 25 ° C | (1) ACD |
Koc | 1.0 | PH 2; HATHI: 25 ° C | (1) ACD |
Koc | 1.0 | PH 3; HATHI: 25 ° C | (1) ACD |
Koc | 1.0 | pH 4; HATHI: 25 ° C | (1) ACD |
Koc | 1.0 | PH 5; HATHI: 25 ° C | (1) ACD |
Koc | 1.0 | pH 6; HATHI: 25 ° C | (1) ACD |
Koc | 1.0 | PH 7; HATHI: 25 ° C | (1) ACD |
Koc | 6.00 | PH 8; HATHI: 25 ° C | (1) ACD |
Koc | 13.2 | PH 9; HATHI: 25 ° C | (1) ACD |
Koc | 15.0 | PH 10; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari |
yi biyayya | -3.53 | pH 1; HATHI: 25 ° C | (1) ACD |
yi biyayya | -3.46 | PH 2; HATHI: 25 ° C | (1) ACD |
yi biyayya | -3.45 | PH 3; HATHI: 25 ° C | (1) ACD |
yi biyayya | -3.42 | pH 4; HATHI: 25 ° C | (1) ACD |
yi biyayya | -3.20 | PH 5; HATHI: 25 ° C | (1) ACD |
yi biyayya | -2.50 | pH 6; HATHI: 25 ° C | (1) ACD |
yi biyayya | -1.57 | PH 7; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.76 | PH 8; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.42 | PH 9; HATHI: 25 ° C | (1) ACD |
yi biyayya | -0.36 | PH 10; HATHI: 25 ° C | (1) ACD |
logp | -0.354 ± 0.602 | HATHI: 25 ° C | (1) ACD |
Taro na kwantar da hankali | 1.6 g / l | HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1000 g / l | pH 1; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1000 g / l | PH 2; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1000 g / l | PH 3; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1000 g / l | pH 4; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1000 g / l | PH 5; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 220 g / l | pH 6; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 26 g / l | PH 7; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 4.2 g / l | PH 8; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.9 g / l | PH 9; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.6 g / l | PH 10; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.6 g / l | Unbuled ruwa ph 9.89; HATHI: 25 ° C | (1) ACD |
Maganin Magana na Magana | 4.2 x 10-3 mol / l | HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.64 MOL / L | pH 1; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.64 MOL / L | PH 2; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.64 MOL / L | PH 3; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.64 MOL / L | pH 4; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.64 MOL / L | PH 5; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 0.59 Mol / L | pH 6; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 0.069 MOL / L | PH 7; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 0.011 Mol / L | PH 8; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari |
Ƙirar Molar | 4.9 x 10-3 mol / l | PH 9; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 4.3 x 10-3 mol / l | PH 10; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 4.3 x 10-3 mol / l | Unbuled ruwa ph 9.89; HATHI: 25 ° C | (1) ACD |
Nauyi na kwayoyin | 379.45 | ||
Pka | 13.75 ± 0.46 | Mafi yawan tempt: 25 ° C | (1) ACD |
Pka | 8.19 ± 0.33 | Mafi yawan Temp: 25 ° C | (1) ACD |
Vapor matsa lamba | 1.86 x 10-21 torr | HATHI: 25 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Yawa
Dukiya | Daraja | Sharaɗi | Mafari |
Yawa | 1.243 ± 0.06 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr | (1) ACD |
Mai launi mai mor. | 305.2 ± 3.0 cm3 / mol | Hemp: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Lipinski
Dukiya | Daraja | Sharaɗi | Mafari |
Kyaututtuka na Rotatatable | 12 | (1) ACD | |
H revors | 9 | (1) ACD | |
H Masu ba da gudummawa | 8 | (1) ACD | |
H Kyauta / Mai ba da Kyauta | 17 | (1) ACD | |
logp | -0.354 ± 0.602 | HATHI: 25 ° C | (1) ACD |
Nauyi na kwayoyin | 379.45 |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Tsarin ya shafi
Dukiya | Daraja | Sharaɗi | Mafari |
Yankin polar | 160 A2 | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Rashin ƙarfi
Dukiya | Daraja | Sharaɗi | Mafari |
Tafasa | 715.0 ± 60 ° C | Latsa: 760 Torr | (1) ACD |
Entalpy na Vaporization | 109.72 ± 3.0 KJ / MOL | Latsa: 760 Torr | (1) ACD |
M hanya | 386.2 ± 32.9 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Spectra akwai
1H nmr
13C nmr
Tsari | Bayanin Hazard | Mafari |
H335 | Na iya haifar da hangen nesa | Hukumar Kimiyya ta Turai (ECHA) rarrabuwa & kayan kwalliya - sanarwar rarrabuwa - kayan kwalliya na Turai - sanarwar rarrabuwa - sanarwar sanarwa |
H319 | Yana haifar da mummunan idanu | Hukumar Kimiyya ta Turai (ECHA) rarrabuwa & kayan kwalliya - sanarwar rarrabuwa - kayan kwalliya na Turai - sanarwar rarrabuwa - sanarwar sanarwa |
H315 | Sanadin haushi fata | Hukumar Kimiyya ta Turai (ECHA) rarrabuwa & kayan kwalliya - sanarwar rarrabuwa - kayan kwalliya na Turai - sanarwar rarrabuwa - sanarwar sanarwa |
H02 | Cutarwa idan ya haɗiye | Hukumar Kimiyya ta Turai (ECHA) rarrabuwa & kayan kwalliya - sanarwar rarrabuwa - kayan kwalliya na Turai - sanarwar rarrabuwa - sanarwar sanarwa |