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HCID 394147Erstellt: 27. Oktober 2026

1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate

1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarbo... · t-BOC-L-Pro-OMe · Boc-DL-Pro-OMe-OH · 1-Boc-2-methyl pyrrolidine · Boc-DL-proline Methyl ester · Methyl 1-Boc-2-pyrrolidinecarboxylate · Methyl N-Boc-Pyrrolidine-2-Carboxylate · Methyl 1-Boc-pyrrolidine-2-carboxylate

https://huagongshe.com/de/chemical/394147

Molekülstruktur von 1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate

Identifikatoren & physikalische Daten

CAS No.	145681-01-2
Summenformel	C11H19NO4
Durchschnittliche Molmasse	229,27 g/mol
Monoisotopische Masse	229,13140809 g/mol
SMILES	COC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIKey	WVDGSSCWFMSRHN-UHFFFAOYSA-N
PubChem CID	394147
ChEMBL	CHEMBL2001025
EC No.	849-128-6
DTXSID	DTXSID60327861

Chemische & physikalische Eigenschaften

XLogP	1,6
Polarare Oberfläche (TPSA)	55,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	16
Formalladung	0
Komplexität	282
Siedepunkt	288.6±33.0 °C(Predicted)
Dichte	1.120±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	-3.35±0.40(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate

CAS No.

145681-01-2

Summenformel

C11H19NO4

Durchschnittliche Molmasse

229,27 g/mol

Monoisotopische Masse

229,13140809 g/mol

SMILES

COC(=O)C1CCCN1C(=O)OC(C)(C)C

InChIKey

WVDGSSCWFMSRHN-UHFFFAOYSA-N

PubChem CID

394147

ChEMBL

CHEMBL2001025

EC No.

849-128-6

DTXSID

DTXSID60327861

XLogP

1,6

Polarare Oberfläche (TPSA)

55,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

282

Siedepunkt

288.6±33.0 °C(Predicted)

Dichte

1.120±0.06 g/cm3(Predicted)

Lagerbedingungen

2-8°C

pKa (Säurekonstante)

-3.35±0.40(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

Alarmwort

Warnung

Gefahrenhinweise

Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302