Spirolucidine

Base Information

• Chemical Name: Spirolucidine
• CAS No.: 89647-79-0
• Molecular Formula: C30H49N3O2
• Molecular Weight: 483.729
• DSSTox Substance ID: DTXSID80331849
• Nikkaji Number: J2.771.358K
• Wikidata: Q27108331
• Metabolomics Workbench ID: 53448

Synonyms:spirolucidine

Chemical Property of Spirolucidine

Chemical Property:

• Boiling Point: 626.4°Cat760mmHg
• Flash Point: 332.7°C
• PSA: 52.65000
• Density: 1.13g/cm³
• LogP: 4.70050
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 483.38247781
• Heavy Atom Count: 35
• Complexity: 846

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2CC3(C4CC2C(C1)N(C4)C)C(=O)CCC(N3)CC5CC(CC6C5CCCN6C(=O)C)C
• Isomeric SMILES: C[C@@H]1C[C@H]2C[C@]3([C@@H]4C[C@H]2[C@H](C1)N(C4)C)C(=O)CC[C@@H](N3)C[C@H]5C[C@@H](C[C@H]6[C@@H]5CCCN6C(=O)C)C

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