Parfumine

Base Information

• Chemical Name: Parfumine
• CAS No.: 28230-70-8
• Molecular Formula: C₂₀H₁₉NO₅
• Molecular Weight: 353.375
• DSSTox Substance ID: DTXSID70182488
• Nikkaji Number: J489.545B
• Wikidata: Q27104966
• Metabolomics Workbench ID: 68362
• ChEMBL ID: CHEMBL2374322
• Mol file: 28230-70-8.mol

Synonyms:Parfumine;(+)-Parfumine;d-Parfumine;( )-Parfumine;28230-70-8;CHEBI:68994;AC1Q6P8U;AC1L4H81;CHEMBL2374322;DTXSID70182488;C09599;Q27104966;(1S)-7-hydroxy-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one;(7S)-7'-hydroxy-6'-methoxy-2'-methyl-3',4'-dihydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8(6H)-one

Chemical Property of Parfumine

Chemical Property:

• Boiling Point: 556.7°Cat760mmHg
• Flash Point: 290.5°C
• PSA: 68.23000
• Density: 1.46g/cm³
• LogP: 2.18960
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 353.12632271
• Heavy Atom Count: 26
• Complexity: 585

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C=C2C13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC
• Isomeric SMILES: CN1CCC2=CC(=C(C=C2[C@]13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC

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