Aniflorine

Base Information

• Chemical Name: Aniflorine
• CAS No.: 29048-81-5
• Molecular Formula: C20H21 N3 O3
• Molecular Weight: 351.399
• DSSTox Substance ID: DTXSID20331989
• Wikidata: Q27105789
• Metabolomics Workbench ID: 69489
• Mol file: 29048-81-5.mol

Synonyms:Aniflorine;29048-81-5;(3R)-3-[2-(dimethylamino)phenyl]-3-hydroxy-5-methoxy-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;C10635;AC1L9DKK;CHEBI:2730;DTXSID20331989;Q27105789

Chemical Property of Aniflorine

Chemical Property:

• Vapor Pressure: 4.55E-14mmHg at 25°C
• Boiling Point: 575.1°C at 760 mmHg
• Flash Point: 301.6°C
• PSA: 67.59000
• Density: 1.29g/cm³
• LogP: 2.11070
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 351.15829154
• Heavy Atom Count: 26
• Complexity: 593

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC=C1C2(CCN3C2=NC4=C(C3=O)C=CC=C4OC)O
• Isomeric SMILES: CN(C)C1=CC=CC=C1[C@@]2(CCN3C2=NC4=C(C3=O)C=CC=C4OC)O

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