2-(Pyrrolidin-1-yl)naphthalene-1,4-dione

Base Information

• Chemical Name: 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione
• CAS No.: 59641-26-8
• Molecular Formula: C14H13NO2
• Molecular Weight: 227.263
• ChEMBL ID: CHEMBL165297
• DSSTox Substance ID: DTXSID60877477
• Nikkaji Number: J485.884K
• Wikidata: Q82859295
• Mol file: 59641-26-8.mol

Synonyms:2-(pyrrolidin-1-yl)naphthalene-1,4-dione;59641-26-8;1,4-Naphthalenedione, 2-(1-pyrrolidinyl)-;CHEMBL165297;SCHEMBL4876610;2-(1-pyrrolidinyl)naphthoquinone;DTXSID60877477;LGLAFLFRMBHOKX-UHFFFAOYSA-N;Naphthoquinone,2-(N-pyrrolidinyl);7226-62-2

Chemical Property of 2-(Pyrrolidin-1-yl)naphthalene-1,4-dione

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC(=O)C3=CC=CC=C3C2=O