Basic information
- CAS
22041-24-3- Standard SMILES
COC(=O)CCCN1CCCC1- InChIKey
YUWSENDKBFKEMK-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592878
Names & identifiers
- Preferred name
- Methyl 1-pyrrolidinebutanoate
- IUPAC
- methyl 4-pyrrolidin-1-ylbutanoate
- English name
- methyl pyrrolidine-1-butyrate
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
22041-24-3BUTYRIC ACID, 4-(PYRROLIDIN-1-YL)-, METHYL ESTERMethyl 1-pyrrolidinebutanoateZ4DG8A9A52DTXSID60176518RefChem:1089254DTXCID2099009244-748-8Methyl pyrrolidine-1-butyratemethyl 4-pyrrolidin-1-ylbutanoateEINECS 244-748-8Methyl 4-(pyrrolidin-1-yl)butyrate
Show more names
Pyrrolidine-1-butyric acid methyl ester
METHYL 4-(PYRROLIDIN-1-YL)BUTANOATEmethyl gamma-pyrrolidinobutyrateSCHEMBL1856574methyl gamma-pyrrolidino-butyratemethyl-4-(pyrrolidin-1-yl)butanoate1-Pyrrolidinebutanoic acid, methyl esterNS00027033
Database identifiers
- CAS
22041-24-3- PubChem CID
- 30905
- DTXSID
DTXSID60176518- UNII
- Z4DG8A9A52
- EC Number
- 244-748-8
- Nikkaji
- J42.921J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 238.5 · 238.5±23.0 °C(Predicted)
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.20(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
4 records
Compound notes
Loading…