Pyrrolidin-1-ylacetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
37386-15-5- 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 propertiesFilling in
- XLogP
- -2.8
- Topological polar surface area
- 40.5 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Upstream & downstream products
Upstream raw materials
Related reactions
10 records
Compound notes
Loading…