1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate

Base Information

• Chemical Name: 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate
• CAS No.: 42558-63-4
• Molecular Formula: C34H38N12O6S
• Molecular Weight: 742.8073
• DSSTox Substance ID: DTXSID20195341
• Mol file: 42558-63-4.mol

Synonyms:4-(Guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-1-phthalazone hemisulfate;1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate;42558-63-4;DTXSID20195341;C17H18N6O.1/2H2O4S;LS-109281;C17-H18-N6-O.1/2H2-O4-S

Chemical Property of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate

Chemical Property:

• Vapor Pressure: 9.12E-13mmHg at 25°C
• Boiling Point: 564.5°Cat760mmHg
• Flash Point: 295.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 742.27579815
• Heavy Atom Count: 53
• Complexity: 595

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.OS(=O)(=O)O