Acetic acid, pyrrolidin-1-yl-, methyl ester
Basic information
- CAS
22041-18-5- Standard SMILES
COC(=O)CN1CCCC1- InChIKey
BMWOSLXYXGTLAR-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- Acetic acid, pyrrolidin-1-yl-, methyl ester
- IUPAC
- methyl 2-pyrrolidin-1-ylacetate
- English name
- Methyl1-pyrrolidineacetate
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
22041-18-5methyl 2-(pyrrolidin-1-yl)acetateMethyl 1-pyrrolidineacetateMethyl (1-pyrrolidinyl)acetateACETIC ACID, PYRROLIDIN-1-YL-, METHYL ESTERBRN 4176573DTXSID20176514RefChem:5522991-Pyrrolidineacetic acid, methyl ester (8CI,9CI)DTXCID2099005863-023-2METHYL1-PYRROLIDINEACETATE
Show more names
Methyl (N-pyrrolidino)acetate1-Pyrrolidineacetic acid methyl ester
methyl 2-pyrrolidin-1-ylacetateMFCD01672788Methyl 2-(1-Pyrrolidinyl)acetate1-Pyrrolidineacetic acid, methyl estermethyl pyrrolidinyl acetateSCHEMBL65441SCHEMBL22684497Methyl (pyrrolidin-1-yl)acetate
Database identifiers
- CAS
22041-18-5- PubChem CID
- 30903
- DTXSID
DTXSID20176514- EC Number
- 863-023-2
- Nikkaji
- J86.284C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 72 °C · 72 °C(Press: 8 Torr)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- pka
- 8.33 · 8.33±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H335-H318-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H227-H335-H318-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…