2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione

Base Information

• Chemical Name: 2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione
• CAS No.: 70912-52-6
• Molecular Formula: C10H13NO4
• Molecular Weight: 211.218
• Hs Code.: 29333999
• DSSTox Substance ID: DTXSID50351756
• Nikkaji Number: J3.582.437E
• Wikidata: Q82128432
• ChEMBL ID: CHEMBL1455440
• Mol file: 70912-52-6.mol

Synonyms:70912-52-6;2,2-dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione;2,2-Dimethyl-5-pyrrolidin-2-ylidene-[1,3]dioxane-4,6-dione;2,2-dimethyl-5-pyrrolidin-2-ylidene-1,3-dioxane-4,6-dione;Maybridge1_003027;CBMicro_037255;Oprea1_050105;Oprea1_060619;MLS000108754;SCHEMBL4951420;CHEMBL1455440;HMS550B13;DTXSID50351756;HMS2185E15;CCG-51838;MFCD00067006;STK524445;AKOS000547207;Dibenzyl-N,N-disisopropylphosphoramidite;AS-83219;SMR000104707;BIM-0037156.P001;CS-0165882;J3.582.437E;EN300-140374;AB00100849-01;AA-504/32133010;SR-01000457543;SR-01000457543-1;SR-01000457543-2;2,2-dimethyl-5-(2-pyrrolidinylidene)-1,3-dioxane-4,6-dione;2,2-Dimethyl-5-(pyrrolidine-2-ylidene)-1,3-dioxane-4,6-dione;2,2-DIMETHYL-5-(2-TETRAHYDROPYRROLYDINENE)-1,3-DIOXANE-4,6-DIONE;2,2-dimethyl-5-tetrahydro-2H-pyrrol-2-ylidene-1,3-dioxane-4,6-dione

Chemical Property of 2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione

Chemical Property:

• Vapor Pressure: 7.67E-08mmHg at 25°C
• Melting Point: 171-175 °C
• Refractive Index: 1.586
• Boiling Point: 424.2 °C at 760 mmHg
• PKA: 3.89±0.20(Predicted)
• Flash Point: 210.3 °C
• PSA: 64.63000
• Density: 1.259 g/cm³
• LogP: 0.78880
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 211.08445790
• Heavy Atom Count: 15
• Complexity: 334

Purity/Quality:

98%min ^*data from raw suppliers

2,2-DIMETHYL-(2-TETRAHYDROPYRROLYDINENE)-1,3-DIOXANE-4,6-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC(=O)C(=C2CCCN2)C(=O)O1)C