Pyrrolidin-1-ylacetic acid

HCID 414564CAS 37386-15-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)CN1CCCC1
InChIKey: IPXNXMNCBXHYLQ-UHFFFAOYSA-N
Molecular formula: C6H11NO2
Average molar mass: 129.16 g/mol
Monoisotopic mass: 129.07897859

Names & identifiers

Preferred name: Pyrrolidin-1-ylacetic acid
IUPAC: 2-pyrrolidin-1-ylacetic acid
English name: Pyrrolidin-1-yl-acetic acid
Molecular formula: C6H11NO2
Molecular weight: 129.16

Names & synonyms

37386-15-5pyrrolidin-1-ylacetic acidDTXSID90328861RefChem:1097572DTXCID502799662-(Pyrrolidin-1-yl)acetic acid1-Pyrrolidineacetic acidPyrrolidin-1-yl-acetic acid1-Pyrrolidinylacetic acid2-pyrrolidin-1-ylacetic acid2-(1-Pyrrolidyl)acetic AcidMFCD04114075

Show more names

AKOS BC-0363AKOS BBS-00000323RARECHEM AL BO 0350SALOR-INT L481092-1EACinepazide Impurity 20(1-Pyrrolyl)Acetic acidN-PYRROLIDINOACETIC ACID1-Pyrroltdinylacetic acid

pyrrolidinyl acetic acid1-pyrrolidine-acetic acid(1-Pyrrolidinyl)acetic acidBAS 07870487CS-W0203712-Pyrrolidinylacetic acid1-?Pyrrolidineacetic AcidPyrrolidinylacetic acid

Database identifiers

CAS: 37386-15-5
PubChem CID: 414564
DTXSID: DTXSID90328861
EC Number: 675-214-6

Properties

Computed structural properties

XLogP: -2.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 184 · 184-185 °C
Boiling point: 233.8 · 233.8±23.0 °C(Predicted)
Density: 1.153 · 1.153±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly, Sonicated, Heated), Methanol (Slightly)
form: Solid
pka: 2.47 · 2.47±0.10(Predicted)
color: Pale Yellow
InChI: InChI=1S/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9)
InChIKey: IPXNXMNCBXHYLQ-UHFFFAOYSA-N
SMILES: N1(CC(O)=O)CCCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (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 information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses1-Pyrrolidineacetic Acid is a useful reactant and reagent in organic reactions. It can be found used in cosmetic products such as wrinkle-preventive/ameliorating products.