C17H19N3O3O6 thyridine, α - α - [(Phenylmmethl) Amino] - (ACI)
Nọmba iforukọsilẹ CS
944268-75-1
Awọn ohun-ini ti ara bọtini | Iye | Ipo |
Iwuwo Molucular | 361.35 | - |
Iwuwo (asọtẹlẹ) | 1.459 ± 0.06 g / cm3 | TPP: 20 ° C; Tẹ: 760 Torr |
PKA (asọtẹlẹ) | 8.27 ± 0.10 | Julọ acidic temp: 25 ° C |
Awọn ẹrin canonical
O = C1nC (= O) N (C = C1C (= O) NCC = CCE = CC2) C3OC (co) c (o) c3
America rẹrin musẹ
O = CC1N ([C @@L [C @ x @ x] (co) [c @ = C)
Inchi
Inchi = 1S / C17H19O6 / C21-9-13 (22) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18) 18-0-10,25,27,27,9 H2, (H, 18,23) (H, 19,24,25) / T12-, 13 +, 13 + / M0 / S1
Bọtini inchi
Vbnagcuxmkm-bfhhfunrosu-n
Awọn orukọ 3 miiran fun nkan yii
--α - [(Phenyllethyl) Amino] Trimidine (ACI); (BNDU); 7: PN: WO220081510 SQAced: 7 ẹtọ
Awọn ohun-ini ti o wa
Ẹkọ
Kẹmika
Oriri
Liposki
Pilẹṣẹ
Ohun-ini | Iye | Ipo | Orisun |
Eyikeyirigi bioconction | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
Eyikeyirigi bioconction | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1)
Ohun-ini Iye Iye Iye |
Koc 18.3; Temp: 25 ° C (1) ACD |
Omo 18.3 PH 2; Temp: 25 ° C (1) ACD |
Odun 18.3 li o Temp: 25 ° C (1) ACD |
Kolo 18.3 PH 4; Temp: 25 ° C (1) ACD |
Koc 18.3; Temp: 25 ° C (1) ACD |
Ọba 1812 P Temp: 25 ° C (1) ACD |
Ooc 16.4 PH 7; Temp: 25 ° C (1) ACD |
OoC 8.566 PH 8; Temp: 25 ° C (1) ACD |
Ooc 1.62 PH 9; Temp: 25 ° C (1) ACD |
Koc 1.0:0W 10; Temp: 25 ° C (1) ACD |
logd -0.21 Ph 1; Temp: 25 ° C (1) ACD |
Log -0.21 PH 2; Temp: 25 ° C (1) ACD |
Ohun-ini | Iye | Ipo | Orisun |
wọle | -0.21 | PH 3; Temp: 25 ° C | (1) ACD |
wọle | -0.21 | PH 4; Temp: 25 ° C | (1) ACD |
wọle | -0.21 | PH 5; Temp: 25 ° C | (1) ACD |
wọle | -0.22 | PH 6; Temp: 25 ° C | (1) ACD |
wọle | -0.26 | pH 7; Temp: 25 ° C | (1) ACD |
wọle | -0.54 | PH 8; Temp: 25 ° C | (1) ACD |
wọle | -1.26 | pH 9; Temp: 25 ° C | (1) ACD |
wọle | -1.95 | PH 10; Temp: 25 ° C | (1) ACD |
logP | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
Ibinu Intrintic | 0.13 g / l | Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.13 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.13 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.13 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.13 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.13 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.14 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.15 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.29 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 1.5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 7.2 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility ibi- | 0.14 g / l | Omi-omi ti ko ni agbara to 5.68; Temp: 25 ° C | (1) ACD |
Morlt inthintic Sounublity | 3.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
Solullity Molar | 3.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solullity Molar | 3.7 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Solullity Molar | 3.7 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solullity Molar | 3.7 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solullity Molar | 3.7 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Solullity Molar | 3.8 x 10-4 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solullity Molar | 4.2 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Solullity Molar | 8.0 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Solullity Molar | 4.2 x 10-3 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Solullity Molar | 0.020 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Ohun-ini | Iye | Ipo | Orisun |
Solullity Molar | 3.8 x 10-4 mol / l | Omi-omi ti ko ni agbara to 5.68; Temp: 25 ° C | (1) ACD |
Iwuwo Molucular | 361.35 | ||
PK | 8.27 ± 0.10 | Julọ acidic temp: 25 ° C | (1) ACD |
PK | -1.66 ± 0.20 | Julọ awoṣe ipilẹ: 25 ° C | (1) ACD |
(1)
Ohun-ini | Iye | Ipo | Orisun |
Oriri | 1.459 ± 0.06 g / cm3 | TPP: 20 ° C; Tẹ: 760 Torr | (1) ACD |
Iwọn Molala | 247.5 ± 3.0 cm3 / mol | TPP: 20 ° C; Tẹ: 760 Torr | (1) ACD |
(1)
Ohun-ini | Iye | Ipo | Orisun |
Free awọn iwe ifowopamosi | 7 | (1) ACD | |
H Awọn olugba | 9 | (1) ACD | |
H alowo | 4 | (1) ACD | |
H Dokita / Alagba akopọ | 13 | (1) ACD | |
logP | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
Iwuwo Molucular | 361.35 |
(1)
Ohun-ini | Iye | Orisun majemu |
Agbegbe ọpá pola | 128 A2 | (1) ACD |
(1)
Ipele wa
1 h nmr
13 c NMR
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