(2S,4S)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

CIS-ZHPROME · CIS-ZHPROME USP/EP/BP · Cbz-cis-4-Hydroxy-L-Proline methyl ester · N-CBZ-CIS-4-HYDROXY-L-PROLINE METHYL ESTER · (4S)-1-Cbz-4-hydroxy-L-proline methyl ester · (2S,4S)-N-Cbz-cis-4-hydroxy-L-proline methyl ester · N-CARBOBENZYLOXY-(4S)-HYDROXY-L-PROLINE METHYL ESTER · Methyl (2S,4S)-1-Cbz-4-Hydroxypyrrolidine-2-carboxylate

https://huagongshe.com/de/chemical/688413

Molekülstruktur von (2S,4S)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

Identifikatoren & physikalische Daten

CAS No.	57653-35-7
Summenformel	C14H17NO5
Durchschnittliche Molmasse	279,29 g/mol
SMILES	COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1
InChIKey	VVKAGQHUUDRPOI-RYUDHWBXSA-N
PubChem CID	688413
EC No.	693-601-8

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	76,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	5
Schwere Atome	20
Formalladung	0
Komplexität	353
Schmelzpunkt	80-85°C
Siedepunkt	422.8±45.0 °C(Predicted)
Dichte	1.313±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	14.25±0.40(Predicted)
InChI	1S/C14H17NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3/t11-,12-/m0/s1
InChIKey	VVKAGQHUUDRPOI-RYUDHWBXSA-N
SMILES	COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc2ccccc2

Sicherheit & Vorschriften

GHS-Einstufung	WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Eye Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	2
R-Sätze (R)	36
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2