Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid

cis-4-Methoxycyclohexanecarboxylic acid · cis-4-methoxycyclohexane-1-carboxylic acid · (1S,4S)-4-METHOXYCYCLOHEXANECARBOXYLIC ACID · Cyclohexanecarboxylic acid, 4-methoxy-, cis- · (1s,4s)-4-Methoxycyclohexane-1-carboxylic acid · rel-(1S,4S)-4-Methoxycyclohexanecarboxylic acid · rel-(1s,4s)-4-methoxycyclohexane-1-carboxylic acid · cis-4-methoxycyclohexanecarboxylic acid - [M25142]

https://huagongshe.com/de/chemical/736153

Molekülstruktur von Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.	73873-59-3
Summenformel	C8H14O3
Durchschnittliche Molmasse	158,19 g/mol
Monoisotopische Masse	158,09429431 g/mol
SMILES	COC1CCC(C(=O)O)CC1
InChIKey	WKILSRYNRQGRMA-UHFFFAOYSA-N
PubChem CID	736153
EC No.	892-635-2
DTXSID	DTXSID801347396

Chemische & physikalische Eigenschaften

XLogP	0,9
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	136
Schmelzpunkt	54.8-55.8 °C
Siedepunkt	266.6±33.0 °C(Predicted)
Dichte	1.09±0.1 g/cm3(Predicted)
Lagerbedingungen	Store at 0-8 °C
pKa (Säurekonstante)	4.81±0.25(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Alarmwort	Achtung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301

Anwendungen & Verwendung

Verwenden

cis-4-Methoxycyclohexane-1-carboxylic Acid is used in the preparation of tricyclic guanidine derivs. useful as inhibitors of PDE1 in the treatment of neurological or psychiatric disorders.