1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)-

Base Information

• Chemical Name: 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)-
• CAS No.: 110857-22-2
• Molecular Formula: C16H22 Cl N O
• Molecular Weight: 279.805
• UNII: 22XBK6DY1E
• DSSTox Substance ID: DTXSID40149402
• Nikkaji Number: J247.973G
• Wikidata: Q27216218
• Pharos Ligand ID: JMGRBUSWX8ML
• ChEMBL ID: CHEMBL114166
• Mol file: 110857-22-2.mol

Synonyms:SK and F 104078;SK and F-104078;SKF 104078

Chemical Property of 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)-

Chemical Property:

• Vapor Pressure: 1.14E-06mmHg at 25°C
• Boiling Point: 401.9°C at 760 mmHg
• PKA: 6.89±0.10(Predicted)
• Flash Point: 196.9°C
• PSA: 12.47000
• Density: 1.074g/cm³
• LogP: 3.65330
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 279.1389920
• Heavy Atom Count: 19
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOC1=C2CCN(CCC2=C(C=C1)Cl)C)C