C20h31non5 Hiptanic Säure, 3- Hydroxy-5-Methyl-4 - [(Phenylomethoxy) Cabinoyl] Amtino] -, 1.1-Dinoyl] Amino
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 365.46 | - |
Kachpunkt (virausgesot) | 504.1 ± 50,0 ° C | Press: 760 Torr |
Dicht (virausgesot) | 1.091 ± 0.06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 11.82 ± 0,46 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C (Ok occas = CC = CC1) NC (O) CC (= O) oc (c) c (c) c) c) c
ISOMRIC Laachen [C @ h] ([C @@@ h] (CC (OC) (c) c) = O) O) (NC (Ok1 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = O)
Inchi
Inchi = 1s / C20h3115 / C1-6 (2) 18 (16 (22) 12,12-13h2,1-5 H3, (H, 21,24) / T14-, 16 +, 18- / M0 / S1
Inchi Schlëssel
Azsbawjrolriq-lescradosa-n
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Thermesch |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 6,166 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6167 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6167 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6167 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6167 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6167 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6167 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6167 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6,166 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 6044 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Chemeschen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 3450 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 3460 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 3460 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 3460 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 3460 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 3460 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 3460 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 3460 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 3450 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 3390 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 1; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Aloggenlogt | 3.97 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.97 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.966 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 3.974 ± 0,543 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 0,062 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,062 g / l | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 1.7 x 10-4 Mol / l | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.7 x 10-4 Mol / l | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 365.46 | ||
paka | 11.82 ± 0,46 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | -1,56 ± 0.70 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
Vapor Drock | 5.56 x 10-11 Torr | Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Dicht
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Dicht | 1.091 ± 0.06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 334.7 ± 3,0 cm3 / mol | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Lipinski
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Fräi rotativ Obligatiounen | 12 | (1) ACD | |
H Akzeptoren | 6 | (1) ACD | |
H Donateuren | 2 | (1) ACD | |
H Spender / Acceptor Zomm | 8 | (1) ACD | |
AloggenO Aloggen | 3.974 ± 0,543 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 365.46 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 84.9 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Thermesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kachendepunkt | 504.1 ± 50,0 ° C | Press: 760 Torr | (1) ACD |
Enthalpie vu Vaporization | 81.44 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
Flash Point | 258.6 ± 30.1 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr
CODE CODEN | Gefor Ausso | Quellatioun |
H301 | Gëfteg wann geschluecht ginn | Europäesch Chicalagentur (Echa) Klassifikatioun & Labelataire - Informéiert Klassifikatioun a Liboiren - déi heebeg Notifikatiounen, Europäesch Chicatical Agentur (Echa) Klassifikatioun a Labelklassifizéierung a Labelklassiséierung a Labelklassiséierung a Labelschafts- |