2-Methylellipticinium

Base Information

• Chemical Name: 2-Methylellipticinium
• CAS No.: 69467-91-0
• Molecular Formula: C18H17 N2
• Molecular Weight: 261.34098
• UNII: W9SB84PL4Y
• DSSTox Substance ID: DTXSID10219686
• Nikkaji Number: J546.799C
• Wikidata: Q83096668
• ChEMBL ID: CHEMBL16756
• Mol file: 69467-91-0.mol

Synonyms:2-methylellipticine;2-methylellipticinium;2-methylellipticinium acetate;2-methylellipticinium iodide;NSC 226137

Chemical Property of 2-Methylellipticinium

Chemical Property:

• Vapor Pressure: 1.3E-09mmHg at 25°C
• Boiling Point: 486.4°C at 760 mmHg
• Flash Point: 226.8°C
• PSA: 19.67000
• LogP: 3.91560
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 261.139173551
• Heavy Atom Count: 20
• Complexity: 368

Purity/Quality:

99%min ^*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=CC=CC=C43)C)C