Ethyl pyrrolidine-2-carboxylate

HCID 550673CAS 60169-67-7

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C1CCCN1
InChIKey: QPNJHVDIRZNKOX-UHFFFAOYSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Names & identifiers

Preferred name: Ethyl pyrrolidine-2-carboxylate
IUPAC: ethyl pyrrolidine-2-carboxylate
English name: Ethyl pyrrolidine-2-carboxylate
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

ethyl pyrrolidine-2-carboxylate60169-67-7DTXSID70338685RefChem:345003DTXCID10289768850-828-9MFCD00126468ethyl prolinatedl-proline ethyl esterethylpyrrolidine-2-carboxylateSCHEMBL115996SCHEMBL1049438

Show more names

D/L-Proline Ethyl EsterDL-Proline ethyl ester HCl

SCHEMBL1387807QPNJHVDIRZNKOX-UHFFFAOYSA-NKCA16967AKOS008118629DB-019596CS-0248747EN300-41250Z361885340

Database identifiers

CAS: 60169-67-7
PubChem CID: 550673
DTXSID: DTXSID70338685
EC Number: 850-828-9

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Physicochemical properties

Melting point: 176 °C · 176 °C
Boiling point: 78 · 78-79 °C(Press: 10-11 Torr)
Density: 1.031 · 1.031±0.06 g/cm3(Predicted)
pka: 8.23 · 8.23±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H318-H315-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933998090
Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H318-H315-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310