Substance
- Substance Name: (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione
- Formula: C19H18N2O3
- Molecular Weight: 322.4 g/mol
- Identifiers:
- casrn: 28092-62-8
- pubchemId: 119819
- iupacname: (3aS,6aR)-1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
- inchi: InChI=1S/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
- inchikey: FGFSEMWCZBVRHG-IRXDYDNUSA-N
- csmiles: C1C2C(C(=O)O1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
- ismiles: C1[C@H]2[C@@H](C(=O)O1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
- wikidataId: Q76010144
- dsstoxcmpId: DTXCID10104861
(3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione
Systems and Datasets
- (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- methanol + (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- toluene + (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- ethyl acetate + (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- tetrahydrofuran + (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- dichloromethane + (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- N,N-dimethylformamide + (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.5b00857 (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)