C17h19n3o6 Themidine, α -oxo- α - [(Phenylmethethel) amino] - (AD)
Numera numera numera
944268-75-1
Key mea totino | Aoga | Tulaga |
Molecular mamafa | 361.35 | - |
O le Density (valoia) | 1.459 ± 0.06 g / cm3 | Ia emo: 20 ° C; Fetaomi: 760 Torr |
PKA (valoia) | 8.27 ± 0.10 | Sili acidic Sound: 25 ° C |
Ataata a le Bainonical
O = c1nc (= o) n (c = c1c (= o) NCC = 2c = CC = CC2) C3C (CO) C3
E ataata le asamore
O = C1n ([C @@ H] 2O [C @ B) [C) (C] (o) C.
Inisi
Inchi = 1s / C17H19N3O6 / C21-9-13-12 (22-14 (26-7-29,21-21h:) H2, (h, 18,23) (h, 19,25,25) / T12-, 13 +, 14 * / M0 / S1
Inchi ki
Vbryagcuexfmkm-bfhyxjouth-n
3 isi igoa mo lenei mea
α -oxo-α - [(Phenylmethethyl) amino] themidine (ACI); (Bndu); 7: PN: Wo02020081510 Seqid: 7 tagi faasologa
E maua meatotino
Talaoofia
Vailaau
Tulaga
Lipineki
Fausaga e fesoʻotaʻi
Meatotino | Aoga | Tulaga | Punavai |
Bioconcentrantrantration | 1.0 | pH 1; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | pH 2; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | pH 3; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | pH 4; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | PH 5age Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | ph 6; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | ph 7; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | pm 8; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | pH 9; Mataoso: 25 ° C | (1) ACD |
Bioconcentrantrantration | 1.0 | pH 10; Mataoso: 25 ° C | (1) ACD |
(1) Fuafuaina faʻaaogaina le alualu i luma Chemistry Access (ACD / labs) Polokalama V11.02 (© 1994-2023 ACD / labs)
Meatotino tau o meatotino |
Koc 18.3 pm 1; Soso: 25 ° C (1) ACD |
Koc 18.3 pH 2; Soso: 25 ° C (1) ACD |
Koc 18.3 pH 3; Soso: 25 ° C (1) ACD |
Koc 18.3 pH 4; Soso: 25 ° C (1) ACD |
Koc 18.3 pm 5; Soso: 25 ° C (1) ACD |
Koc 18.1 pH 6; Soso: 25 ° C (1) ACD |
Koc 16.4 ph 7; Soso: 25 ° C (1) ACD |
Koc 8.56 pH 8; Soso: 25 ° C (1) ACD |
Koc 1.62 pH 9; Soso: 25 ° C (1) ACD |
Koc 1.0 pH 10; Soso: 25 ° C (1) ACD |
ogalaau -0.21 pH 1; Soso: 25 ° C (1) ACD |
LogD -0.21 pH 2; Soso: 25 ° C (1) ACD |
Meatotino | Aoga | Tulaga | Punavai |
logi | -0.21 | pH 3; Mataoso: 25 ° C | (1) ACD |
logi | -0.21 | pH 4; Mataoso: 25 ° C | (1) ACD |
logi | -0.21 | PH 5age Mataoso: 25 ° C | (1) ACD |
logi | -0.22 | ph 6; Mataoso: 25 ° C | (1) ACD |
logi | -0.26 | ph 7; Mataoso: 25 ° C | (1) ACD |
logi | -0.54 | pm 8; Mataoso: 25 ° C | (1) ACD |
logi | -1.26 | pH 9; Mataoso: 25 ° C | (1) ACD |
logi | -1.95 | pH 10; Mataoso: 25 ° C | (1) ACD |
ogalaau | -0.212 ± 0.585 | Mataoso: 25 ° C | (1) ACD |
Mass intrinstic somebulity | 0.13 g / l | Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.13 g / l | pH 1; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.13 g / l | pH 2; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.13 g / l | pH 3; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.13 g / l | pH 4; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.13 g / l | PH 5age Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.14 G / l | ph 6; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.15 g / l | ph 7; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.29 G / l | pm 8; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 1.5 g / l | pH 9; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 7.2 g / l | pH 10; Mataoso: 25 ° C | (1) ACD |
Mass Windlity | 0.14 G / l | Le le mafai le vai o le PH PH 5.68; Mataoso: 25 ° C | (1) ACD |
Mole Inrinsic nebulity | 3.7 x 10-4 mol / l | Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 3.7 x 10-4 mol / l | pH 1; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 3.7 x 10-4 mol / l | pH 2; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 3.7 x 10-4 mol / l | pH 3; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 3.7 x 10-4 mol / l | pH 4; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 3.7 x 10-4 mol / l | PH 5age Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 3.8 x 10-4 mol / l | ph 6; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 4.2 x 10-4 mol / l | ph 7; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 8.0 x 10-4 mol / l | pm 8; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 4.2 X 10-3 Mol / L | pH 9; Mataoso: 25 ° C | (1) ACD |
Morlar fofo | 0.020 mol / l | pH 10; Mataoso: 25 ° C | (1) ACD |
Meatotino | Aoga | Tulaga | Punavai |
Morlar fofo | 3.8 x 10-4 mol / l | Le le mafai le vai o le PH PH 5.68; Mataoso: 25 ° C | (1) ACD |
Molecular mamafa | 361.35 | ||
pka | 8.27 ± 0.10 | Sili acidic Sound: 25 ° C | (1) ACD |
pka | -1.66 ± 0.20 | Sili ona faavae le loloto: 25 ° C | (1) ACD |
(1) Fuafuaina faʻaaogaina le alualu i luma Chemistry Access (ACD / labs) Polokalama V11.02 (© 1994-2023 ACD / labs)
Meatotino | Aoga | Tulaga | Punavai |
Tulaga | 1.459 ± 0.06 g / cm3 | Ia emo: 20 ° C; Fetaomi: 760 Torr | (1) ACD |
Molala voluma | 247.5 ± 3.0 CM3 / Mol | Ia emo: 20 ° C; Fetaomi: 760 Torr | (1) ACD |
(1) Fuafuaina faʻaaogaina le alualu i luma Chemistry Access (ACD / labs) Polokalama V11.02 (© 1994-2023 ACD / labs)
Meatotino | Aoga | Tulaga | Punavai |
Free Floftable Bonds | 7 | (1) ACD | |
H t | 9 | (1) ACD | |
H donors | 4 | (1) ACD | |
H DEO DOGN / EDOROR $ | 13 | (1) ACD | |
ogalaau | -0.212 ± 0.585 | Mataoso: 25 ° C | (1) ACD |
Molecular mamafa | 361.35 |
(1) Fuafuaina faʻaaogaina le alualu i luma Chemistry Access (ACD / labs) Polokalama V11.02 (© 1994-2023 ACD / labs)
Meatotino | Aoga | Tulaga Punavai |
Polar luga | 128 A2 | (1) ACD |
(1) Fuafuaina faʻaaogaina le alualu i luma Chemistry Access (ACD / labs) Polokalama V11.02 (© 1994-2023 ACD / labs)
Avanoa avanoa
1 H NMR
13 c NMR