Anisotine

Base Information

• Chemical Name: Anisotine
• CAS No.: 16688-19-0
• Molecular Formula: C20H19 N3 O3
• Molecular Weight: 349.389
• DSSTox Substance ID: DTXSID90331991
• Nikkaji Number: J15.453I
• Wikidata: Q27105793
• Metabolomics Workbench ID: 69492
• Mol file: 16688-19-0.mol

Synonyms:Anisotine;16688-19-0;C10639;methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate;AC1L9DKT;CHEBI:2738;DTXSID90331991;Q27105793;Anthranilic acid, N-methyl-5-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)-, methyl ester;Benzoic acid, 2-(methylamino)-5-(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-3-yl)-, methyl ester

Chemical Property of Anisotine

Chemical Property:

• Vapor Pressure: 7.02E-12mmHg at 25°C
• Boiling Point: 543.7°Cat760mmHg
• Flash Point: 282.6°C
• PSA: 73.22000
• Density: 1.34g/cm³
• LogP: 2.83340
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 349.14264148
• Heavy Atom Count: 26
• Complexity: 605

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3=O)C(=O)OC