4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-(9CI)

Base Information

• Chemical Name: 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-(9CI)
• CAS No.: 16609-40-8
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.241
• DSSTox Substance ID: DTXSID20168075
• Nikkaji Number: J90.810J
• Wikidata: Q83037591
• Mol file: 16609-40-8.mol

Synonyms:BRN 1531498;1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarboximide;1,4,5,8-Tetrahydro-4a,8a-(methaniminomethano)naphhlalene-9,11-dione;4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-;16609-40-8;4a,8a-NAPHTHALENEDICARBOXIMIDE, 1,4,5,8-TETRAHYDRO-;4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro- (9CI);DTXSID20168075;LS-94547;1,4,5,8-Tetrahydro-4a,8a-naphthalenedicarbimide

Chemical Property of 4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-(9CI)

Chemical Property:

• Vapor Pressure: 6.13E-07mmHg at 25°C
• Melting Point: 215 °C
• Boiling Point: 410.2°C at 760 mmHg
• PKA: 11.17±0.20(Predicted)
• Flash Point: 181.9°C
• PSA: 49.66000
• Density: 1.27g/cm³
• LogP: 1.59150
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC23C1(CC=CC2)C(=O)NC3=O