8-(o-Chlorobenzylidene)hydrazinocaffeine

Base Information

• Chemical Name: 8-(o-Chlorobenzylidene)hydrazinocaffeine
• CAS No.: 6299-72-5
• Molecular Formula: C15H15ClN6O2
• Molecular Weight: 346.776
• NSC Number: 44958
• Mol file: 6299-72-5.mol

Synonyms:8-(o-Chlorobenzylidene)hydrazinocaffeine;6299-72-5;o-Chlorobenzaldehyde-8-caffeine-hydrazone;Caffeine, 8-(o-chlorobenzylidene)hydrazino-;NSC 44958;8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione;o-Chlorobenzaldehyde (1,3,7-trimethylxanthinyl)hydrazone;BENZALDEHYDE, o-CHLORO-, (1,3,7-TRIMETHYLXANTHINYL)HYDRAZONE;Benzaldehyde, o-chloro-, (1,2,3,6-tetrahydro-1,3,7-trimethyl-2,6-dioxopurin-8-yl)hydrazone;NSC44958;C15H15ClN6O2;C15-H15-Cl-N6-O2;NSC-44958;STK697818;AKOS005521072;LS-24981;Benzaldehyde, (1,3,7-trimethylxanthinyl)hydrazone;o-Chlorobenzaldehyde (1,7-trimethylxanthinyl)hydrazone;Benzaldehyde, (1,2,3,6-tetrahydro-1,3,7-trimethyl-2,6-dioxopurin-8-yl)hydrazone;8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property of 8-(o-Chlorobenzylidene)hydrazinocaffeine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 559.754°C at 760 mmHg
• Flash Point: 292.329°C
• PSA: 89.44000
• Density: 1.467g/cm³
• LogP: 0.49200
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 346.0945014
• Heavy Atom Count: 24
• Complexity: 544

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(N=C1NN=CC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C
• Isomeric SMILES: CN1C2=C(N=C1N/N=C/C3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

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