Basic information
- CAS
70912-52-6- Standard SMILES
CC1(C)OC(=O)C(=C2CCCN2)C(=O)O1- InChIKey
HPMYPUSZJRSKIY-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-pyrrolidin-2-ylidene-1,3-dioxane-4,6-dione
- English name
- 2,2-Dimethyl-5-(2-tetrahydropyrrolylidene)-1,3-dioxane-4,6-dione
- Molecular formula
- C10H13NO4
- Molecular weight
- 211.21
Names & synonyms
70912-52-62,2-dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYLIDENE)-1,3-DIOXANE-4,6-DIONE2,2-dimethyl-5-pyrrolidin-2-ylidene-1,3-dioxane-4,6-dione2,2-Dimethyl-5-pyrrolidin-2-ylidene-[1,3]dioxane-4,6-dioneMFCD000670062,2-Dimethyl-(2-tetrahydropyrrolydinene)-1,3-dioxane-4,6-dione2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYDINENE)-1,3-DIOXANE-4,6-DIONEHPMYPUSZJRSKIY-UHFFFAOYSA-NMaybridge1_003027CBMicro_037255Oprea1_050105
Show more names
2,2-Dimethyl-5-(2-pyrrolidinylidene)-1,3-dioxane-4,6-dione1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-pyrrolidinylidene)-2,2-Dimethyl-5-(2-tetrahydropyrrolylidene)-1,3-dioxane-4,6-dione, 98 %
Oprea1_060619MLS000108754SCHEMBL4951420CHEMBL1455440HMS550B13DTXSID50351756HMS2185E15CCG-51838
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 171 · 171-175 °C
- Boiling point
- 350.89 °C · 350.89°C (rough estimate)
- Density
- 1.2545 · 1.2545 (rough estimate)
- refractive index
- 1.515 · 1.5150 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.89 · 3.89±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- Safety Statements
- 24 · 24/25
- HS Code
- 29333999 · 29333999
Safety & regulation
Safety data
- hs_code
- 29333999
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers19 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海瀚思化工有限公司17717618050 · [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]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Related reactions
3 records
Compound notes
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