Bencyclane fumarate

Base Information

• Chemical Name: Bencyclane fumarate
• CAS No.: 14286-84-1
• Molecular Formula: C19H31NO•C4H2O4
• Molecular Weight: 405.535
• European Community (EC) Number: 238-204-9
• UNII: OZN2MG334O
• Wikidata: Q27285936
• NCI Thesaurus Code: C73828
• ChEMBL ID: CHEMBL2105930
• Mol file: 14286-84-1.mol

Synonyms:Bencyclane;Bencyclane Fumarate;compositu, Dilangio;Desoblit;Dilangio compositu;Fludilat;Fluxema;Fumarate, Bencyclane;Halidor

Chemical Property of Bencyclane fumarate

Chemical Property:

• Vapor Pressure: 4.17E-06mmHg at 25°C
• Melting Point: 131-133°
• Boiling Point: 384.2°Cat760mmHg
• Flash Point: 113.2°C
• PSA: 87.07000
• Density: g/cm³
• LogP: 4.00220
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 405.25152322
• Heavy Atom Count: 29
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

BencyclaneFumerate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O