Basic information
- CAS
22041-19-6- Standard SMILES
CCOC(=O)CN1CCCC1- InChIKey
IIIBKVMTKMLDFJ-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- 1-Pyrrolidineacetic acid, ethyl ester
- IUPAC
- ethyl 2-pyrrolidin-1-ylacetate
- English name
- Ethyl pyrrolidinoacetate
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
22041-19-61-Pyrrolidineacetic acid, ethyl esterDTXSID80176515RefChem:1057065DTXCID7099006ethyl 2-(pyrrolidin-1-yl)acetateETHYL PYRROLIDIN-1-YLACETATEETHYL PYRROLIDINOACETATEethyl 2-pyrrolidin-1-ylacetateEthyl 1-pyrrolidineacetateMFCD00012085Ethyl 1-pyrrolidinylacetate
Show more names
ASISCHEM Z61782ethyln-pyrrolidinylacetateethyl1-pyrrolidinylacetateEthyl pyrrolidinoacetate,98%ethyl 2-pyrrolidin-1-ylethanoateEthyl pyrrolidinoacetate, 98% 5GRPyrrolizinoacetic acid ethyl ester
Pyrrolidin-1-yl-acetic acid ethyl esterBRN 0118556BBL013408AKOS0039735842-(1-pyrrolidinyl)acetic acid ethyl esterCS-0207255Ethyl N-pyrrolidinylacetateethyl-1-pyrrolidineace
Database identifiers
- CAS
22041-19-6- PubChem CID
- 210996
- DTXSID
DTXSID80176515- Nikkaji
- J150.071F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 281.88 °C · 281.88°C (rough estimate)
- Density
- 1.0806 · 1.0806 (rough estimate)
- refractive index
- 1.446 · 1.446-1.448
- pka
- 8.47 · 8.47±0.20(Predicted)
- form
- Liquid
- color
- Clear light yellow
- Safety Statements
- 24 · 24/25
- HazardClass
- IRRITANT
- HS Code
- 29339980 · 29339980
Safety & regulation
Safety data
- hs_code
- 29339980
- safety_code
- 24/25
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers33 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
10 records
Compound notes
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