Borrecapine

Base Information

• Chemical Name: Borrecapine
• CAS No.: 66408-14-8
• Molecular Formula: C20H24N2O
• Molecular Weight: 308.4174
• DSSTox Substance ID: DTXSID40331709
• Nikkaji Number: J247.650I
• Wikidata: Q27105957
• Metabolomics Workbench ID: 69072
• Mol file: 66408-14-8.mol

Synonyms:Borrecapine;66408-14-8;C09051;AC1L9C2K;CTK2F6410;CHEBI:3153;DTXSID40331709;Q27105957;[3beta-Vinyl-3-methyl-5beta-(2-methyl-1-propenyl)pyrrolidin-2beta-yl][1H-indol-3-yl]methanone;1H-indol-3-yl-[(2R,3R,5S)-3-methyl-5-(2-methylprop-1-enyl)-3-vinyl-pyrrolidin-2-yl]methanone

Chemical Property of Borrecapine

Chemical Property:

• Vapor Pressure: 3.24E-09mmHg at 25°C
• Boiling Point: 475.7°Cat760mmHg
• PKA: 15.36±0.30(Predicted)
• Flash Point: 241.5°C
• PSA: 44.89000
• Density: 1.16g/cm³
• LogP: 4.56840
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 308.188863393
• Heavy Atom Count: 23
• Complexity: 508

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1CC(C(N1)C(=O)C2=CNC3=CC=CC=C32)(C)C=C)C
• Isomeric SMILES: CC(=C[C@@H]1C[C@]([C@@H](N1)C(=O)C2=CNC3=CC=CC=C32)(C)C=C)C