4,5,6-Triaminopyrimidine sulfate hydrate

Base Information

• Chemical Name: 4,5,6-Triaminopyrimidine sulfate hydrate
• CAS No.: 207742-76-5
• Molecular Formula: C4H11N5O5S
• Molecular Weight: 241.23
• DSSTox Substance ID: DTXSID80216622
• Mol file: 207742-76-5.mol

Synonyms:4,5,6-Triaminopyrimidine sulfate hydrate;6640-23-9;207742-76-5;Pyrimidine-4,5,6-triamine sulfate hydrate;4,5,6-Triaminepyrimidine sulfate hydrate;Pyrimidine, 4,5,6-triamino-, sulfate, hydrate;pyrimidine-4,5,6-triamine;sulfuric acid;hydrate;Pyrimidine-4,5,6-triamine xsulfate xhydrate;4,5,6-TRIAMINOPYRIMIDINE SULFATE, HYDRATE;SCHEMBL4798019;C4H7N5.H2O4S.H2O;DTXSID80216622;AMY16101;MFCD00150095;SB59320;Pyrimidine-4,5,6-triaminesulfatehydrate;C4-H7-N5.H2-O4-S.H2-O;LS-135660;CS-0454644;FT-0617132;4,5,6-Pyrimidinetriamine, sulfate (1:1), monohydrate;4,5,6-Triaminopyrimidine sulfate hydrate(dry wt.), water <8%;4,5,6-Triaminopyrimidine sulfate hydrate,98+%(dry wt.),water <8%

Chemical Property of 4,5,6-Triaminopyrimidine sulfate hydrate

Chemical Property:

• Melting Point: 300℃
• Boiling Point: 406.2 °C at 760 mmHg
• Flash Point: 228.5 °C
• PSA: 196.05000
• LogP: 1.33050
• Solubility.: Soluble in dimethyl sulfoxide.
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 241.04808964
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

4,5,6-Triaminopyrimidine sulfate hydrate, 98+% (dry wt.), water <8% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(C(=N1)N)N)N.O.OS(=O)(=O)O
• Uses: 4,5,6-Triaminopyrimidine sulfate hydrate is used to prepare 2,5-anhydro-3-deoxy-N-(4',6'-diaminopyrimidin-5'yl)-D-ribo-hexonamide by reaction with 2,5-anhydro-4-O-benzyl-3-deoxy-D-ribo-hexonic acid. It is also used to prepare 4,5,6-triaminopyrimidine sulfite. Further, it acts as an intermediate in synthetic chemistry.