Holaphyllamine

Base Information

• Chemical Name: Holaphyllamine
• CAS No.: 640-92-6
• Molecular Formula: C21H33 N O
• Molecular Weight: 315.49
• DSSTox Substance ID: DTXSID901307626
• Nikkaji Number: J16.962E
• Mol file: 640-92-6.mol

Synonyms:holaphyllamine

Chemical Property of Holaphyllamine

Chemical Property:

• Melting Point: 260 °C
• Boiling Point: 429.8±45.0 °C(Predicted)
• PKA: 10.60±0.70(Predicted)
• PSA: 43.09000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 5.18200
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 315.256214676
• Heavy Atom Count: 23
• Complexity: 552

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N)C)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N)C)C