Grossularine 2

Base Information

• Chemical Name: Grossularine 2
• CAS No.: 102488-58-4
• Molecular Formula: C₂₁H₁₇N₅O₂
• Molecular Weight: 371.398
• DSSTox Substance ID: DTXSID60145183
• Nikkaji Number: J917.678K
• Wikidata: Q83009593
• Metabolomics Workbench ID: 170847
• Mol file: 102488-58-4.mol

Synonyms:grossularine 2;grossularine-2

Chemical Property of Grossularine 2

Chemical Property:

• Vapor Pressure: 1.24E-20mmHg at 25°C
• Boiling Point: 706.6°Cat760mmHg
• Flash Point: 381.2°C
• PSA: 97.90000
• Density: 1.489g/cm³
• LogP: 3.59500
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 371.13822480
• Heavy Atom Count: 28
• Complexity: 593

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC2=C3C4=CC=CC=C4NC3=NC(=C2N1)C(=O)C5=CC=C(C=C5)O