Elliptinium

Base Information

• Chemical Name: Elliptinium
• CAS No.: 58337-34-1
• Deprecated CAS: 135941-09-2
• Molecular Formula: C20H20N2O3
• Molecular Weight: 277.35
• UNII: 1F1959S062
• DSSTox Substance ID: DTXSID20866685
• Nikkaji Number: J9.758F
• Wikidata: Q3723538
• NCI Thesaurus Code: C90495
• Pharos Ligand ID: UK5N79W7RWKU
• ChEMBL ID: CHEMBL16699
• Mol file: 58337-34-1.mol

Synonyms:2-methyl-9-hydroxyellipticinium;2-methyl-9-hydroxyellipticinium acetate;9-HME;9-hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium acetate;9-hydroxy-2-methylellipticinium;9-hydroxy-2-methylellipticinium acetate;9-hydroxy-2N-methyl-ellipticinium acetate;9-hydroxy-methyl-ellipticinium;Celiptium;elliptinium;elliptinium acetate;elliptinium iodide;elliptinium ion(1+);hydroxy-methyl-ellipticinium;N(2)-methyl-9-hydroxyellipticinium;NSC 264-137;NSC 264137

Chemical Property of Elliptinium

Chemical Property:

• Refractive Index: ">
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 39.90000
• Density: g/cm³
• LogP: 3.62120
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 277.134088170
• Heavy Atom Count: 21
• Complexity: 401

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C