Basic information
- CAS
36625-47-5- Standard SMILES
COC(=O)C=C1CCCN1- InChIKey
JDVWLHHVKYUADU-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- Methyl 2-pyrrolidin-2-ylideneacetate
- IUPAC
- methyl 2-pyrrolidin-2-ylideneacetate
- English name
- 2-(2-pyrrolidinylidene)-Acetic acid Methyl ester
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
Methyl 2-(pyrrolidin-2-ylidene)acetate36625-47-5methyl 2-pyrrolidin-2-ylideneacetate86971-65-5Acetic acid, 2-pyrrolidinylidene-, methyl esterSCHEMBL4954055DTXSID20740113WLZ5132JDVWLHHVKYUADU-UHFFFAOYSA-NLDA97165methyl2-pyrrolidin-2-ylideneacetateMethyl (pyrrolidin-2-ylidene)acetate
Show more names
AKOS030239687Methyl 2-(2-pyrrolidinylidene)acetate(Z)-Methyl 2-(pyrrolidin-2-ylidene)acetatePyrrolidin-2-ylidene-acetic acid methyl esterMethyl (2Z,2E)-2-pyrrolidin-2-ylideneacetateAcetic acid, 2-(2-pyrrolidinylidene)-, methyl ester2-(2-PYRROLIDINYLIDENE)-ACETIC ACID METHYL ESTER
Database identifiers
- CAS
36625-47-5- PubChem CID
- 69255134
- DTXSID
DTXSID20740113
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 101 · 101-102 °C
- Boiling point
- 236 · 236.0±29.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 6.14 · 6.14±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
3 records
Compound notes
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