Astrocasine

Base Information

• Chemical Name: Astrocasine
• CAS No.: 2114-92-3
• Molecular Formula: C20H26N2O
• Molecular Weight: 310.4332
• DSSTox Substance ID: DTXSID40331885
• Wikidata: Q27105870
• Mol file: 2114-92-3.mol

Synonyms:Astrocasine;2114-92-3;(3S,12bR)-3-[(2R)-1-methylpiperidin-2-yl]-2,3,4,12b-tetrahydro-1H-pyrido[2,1-a][2]benzazepin-6-one;C10130;CHEBI:2900;DTXSID40331885;Q27105870

Chemical Property of Astrocasine

Chemical Property:

• Vapor Pressure: 1.76E-10mmHg at 25°C
• Boiling Point: 509°Cat760mmHg
• Flash Point: 227.3°C
• PSA: 23.55000
• Density: 1.16g/cm³
• LogP: 3.35320
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 310.204513457
• Heavy Atom Count: 23
• Complexity: 474

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1C2CCC3C4=CC=CC=C4C=CC(=O)N3C2
• Isomeric SMILES: CN1CCCC[C@@H]1[C@H]2CC[C@@H]3C4=CC=CC=C4C=CC(=O)N3C2