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

Base Information

• Chemical Name: 1(2H)-Phthalazinone, 4-(guanidinomethyl)-, hemisulfate
• CAS No.: 42558-60-1
• Molecular Formula: C20H24N10O6S
• Molecular Weight: 532.533
• DSSTox Substance ID: DTXSID90195338
• Mol file: 42558-60-1.mol

Synonyms:1(2H)-Phthalazinone, 4-(guanidinomethyl)-, hemisulfate;42558-60-1;4-(Guanidinomethyl)-1-phthalazone, hemisulfate;2-[(4-oxo-3H-phthalazin-1-yl)methyl]guanidine;sulfuric acid;DTXSID90195338;C10H11N5O.1/2H2O4S;AKOS032387968;LS-109279;C10-H11-N5-O.1/2H2-O4-S;1-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)guanidine hemisulfate

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

Chemical Property:

• Vapor Pressure: 5.45E-30mmHg at 25°C
• Boiling Point: 840.4°C at 760 mmHg
• Flash Point: 462.1°C
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 532.16009970
• Heavy Atom Count: 37
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NNC2=O)CN=C(N)N.C1=CC=C2C(=C1)C(=NNC2=O)CN=C(N)N.OS(=O)(=O)O