Cularimine

Base Information

• Chemical Name: Cularimine
• CAS No.: 479-42-5
• Molecular Formula: C19H21NO4
• Molecular Weight: 327.3743
• DSSTox Substance ID: DTXSID30331773
• Nikkaji Number: J2.769.822K
• Wikidata: Q27106274
• Mol file: 479-42-5.mol

Synonyms:Cularimine;479-42-5;(10S)-5,6,17-trimethoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene;C09410;CHEBI:3957;DTXSID30331773;Q27106274

Chemical Property of Cularimine

Chemical Property:

• Vapor Pressure: 1.42E-09mmHg at 25°C
• Boiling Point: 485.4°C at 760 mmHg
• Flash Point: 200.6°C
• PSA: 48.95000
• Density: 1.192g/cm³
• LogP: 3.57640
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 327.14705815
• Heavy Atom Count: 24
• Complexity: 434

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C(CCNC3CC4=CC(=C(C=C4O2)OC)OC)C=C1
• Isomeric SMILES: COC1=C2C3=C(CCN[C@H]3CC4=CC(=C(C=C4O2)OC)OC)C=C1

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