4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen

Base Information

• Chemical Name: 4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen
• CAS No.: 10083-53-1
• Molecular Formula: C17H19 N S
• Molecular Weight: 269.43
• UNII: 89DHK9432D
• Wikidata: Q27270029
• Mol file: 10083-53-1.mol

Synonyms:IBD 78;89DHK9432D;UNII-LVH0SCF4XH;4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen;IBD-78, (E)-;BRN 1347799;UNII-89DHK9432D;IBD-78;10083-53-1;4H-Benzo(4,5)cyclohepta(1,2-b)thiophene, 9,10-dihydro-4-(3-methylaminopropylidene)-;1-Propanamine, 3-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-N-methyl-, (E)-;46962-44-1;(3E)-N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine;C17-H19-N-S;LVH0SCF4XH;(E)-ibd-78;1-Propanamine, N-methyl-3-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-;LS-33819;Q27270029

Chemical Property of 4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen

Chemical Property:

• Vapor Pressure: 6.87E-07mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 408.7°Cat760mmHg
• Flash Point: 201°C
• PSA: 40.27000
• Density: 1.159g/cm³
• LogP: 4.27880
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 269.12382078
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

98%,99%, ^*data from raw suppliers

IBD 78 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC=C1C2=C(CCC3=CC=CC=C31)SC=C2
• Isomeric SMILES: CNCC/C=C\1/C2=C(CCC3=CC=CC=C31)SC=C2