6-Benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(6H,7aH)-dione

Base Information

• Chemical Name: 6-Benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(6H,7aH)-dione
• CAS No.: 128740-13-6
• Molecular Formula: C14H16N2O2
• Molecular Weight: 244.29
• Hs Code.: 2933990090
• European Community (EC) Number: 603-298-6
• DSSTox Substance ID: DTXSID70432551
• ChEMBL ID: CHEMBL5027883
• Mol file: 128740-13-6.mol

Synonyms:128740-13-6;6-Benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(6H,7aH)-dione;6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B] PYRIDINE;6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione;6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione;6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine;Tetrahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione;SCHEMBL1721914;CHEMBL5027883;AMY1696;DTXSID70432551;RRBLNPCNHNHAFW-UHFFFAOYSA-N;AKOS015911582;AS-72903;CS-0146926;FT-0660304;EN300-27800;F16235;A888977;6-Benzyloctahydropyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl -5,7-dioxo-octahydropyrrolo[3.4-b]pyridine;6-benzyl-5,7-dioxo-octahydropyrrolo[3,4-b ]pyridine;6-Benzyl-5,7-dioxo-octahydropyrrolo[3.4-b]pyridine;6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B]PYRIDINE;6-Benzylhexahydro-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione;6-benzyl-5,7-dioxo-octahydropyrrolo[3,4-b] pyridine, AldrichCPR;1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-

Chemical Property of 6-Benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(6H,7aH)-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 468.538 °C at 760 mmHg
• PKA: 7.60±0.20(Predicted)
• Flash Point: 237.164 °C
• PSA: 49.41000
• Density: 1.227 g/cm³
• LogP: 1.19030
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

98% ^*data from raw suppliers

Tetrahydro-?6-?(phenylmethyl)?-1H-?pyrrolo[3,?4-?b]?pyridine-?5,?7(2H,?6H)?-?dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(C(=O)N(C2=O)CC3=CC=CC=C3)NC1
• Uses: Tetrahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione is an intermediate in the synthesis of Moxifloxacin (M745000) related compounds.