(2S)-2-{[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino}propanoic acid

Delapril Impurity 8 · Enalapril Maleate IMpurity-G · Enalapril maleate EP Impurity G · Enalapril Cyclohexyl ECPPA Analog · TRANDOLAPRIL ECPP ALANINE SATURATED ALOGUE · Enalapril EP Impurity G/ EnalaprilCyclohexyl ECPPA Analog · (2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoic acid · Cyclohexanebutanoic acid, α-[[(1S)-1-carboxyethyl]amino]-, α-ethyl ester, (αS)- (9CI)

https://huagongshe.com/de/chemical/21037721

Molekülstruktur von (2S)-2-{[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino}propanoic acid

Identifikatoren & physikalische Daten

CAS No.	460720-14-3
Summenformel	C15H27NO4
Durchschnittliche Molmasse	285,38 g/mol
Monoisotopische Masse	285,19400834 g/mol
SMILES	CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)O
InChIKey	SSKKXRIKYHEFTJ-AAEUAGOBSA-N
PubChem CID	21037721
EC No.	874-077-1
DTXSID	DTXSID70196707

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	75,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	9
Schwere Atome	20
Formalladung	0
Komplexität	313
Schmelzpunkt	>152°C (dec.)
Siedepunkt	412.1±30.0 °C(Predicted)
Dichte	1.067±0.06 g/cm3(Predicted)
Lagerbedingungen	Refrigerator
Löslichkeit	Ethanol (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	2.15±0.10(Predicted)
Farbe	White
InChI	1S/C15H27NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChIKey	SSKKXRIKYHEFTJ-AAEUAGOBSA-N
SMILES	[N+H2]([C@@H](CCC1CCCCC1)C(=O)OCC)[C@@H](C)C(=O)[O-]

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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	Acute Tox. 4 (100%)
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

(αS)-Cyclohexanebutanoic Acid α-[[(1S)-1-Carboxyethyl]amino]cyclohexanebutanoic acid α-ethyl ester is an impurity of Enalaprilat maleate.