Manzamine D

Base Information

• Chemical Name: Manzamine D
• CAS No.: 116477-23-7
• Molecular Formula: C₃₆H₄₈N₄O
• Molecular Weight: 552.803
• Wikidata: Q104399154
• Metabolomics Workbench ID: 176500
• ChEMBL ID: CHEMBL592631
• Mol file: 116477-23-7.mol

Synonyms:Manzamine D;116477-23-7;CHEMBL592631

Chemical Property of Manzamine D

Chemical Property:

• Boiling Point: 738.4°Cat760mmHg
• Flash Point: 400.4°C
• Density: 1.24g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 552.38281217
• Heavy Atom Count: 41
• Complexity: 1050

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6C7=C(CCN6)C8=CC=CC=C8N7
• Isomeric SMILES: C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6C7=C(CCN6)C8=CC=CC=C8N7

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