2-amino-3-(trideuteriomethyl)-4H-imidazol-5-one

Base Information

• Chemical Name: 2-amino-3-(trideuteriomethyl)-4H-imidazol-5-one
• CAS No.: 143827-20-7
• Molecular Formula: C4H4 D3 N3 O
• Molecular Weight: 116.14
• DSSTox Substance ID: DTXSID60480400
• Nikkaji Number: J2.150.140I
• Mol file: 143827-20-7.mol

Synonyms:2-amino-3-(trideuteriomethyl)-4H-imidazol-5-one;Creatinine-(methyl-d?);1-(Methyl-d3)glycocyamidine;DTXSID60480400;CHEBI:180983;Creatinine-(methyl-d3), 98 atom % D;A905694;J-007873;2-Amino-1,5-dihydro-1-(methyl-d3)-4H-imidazol-4-one

Chemical Property of 2-amino-3-(trideuteriomethyl)-4H-imidazol-5-one

Chemical Property:

• Melting Point: 255 °C (dec.)(lit.)
• Refractive Index: 1.65
• PSA: 58.69000
• Density: 1.51g/cm³
• LogP: -1.15310
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly, Heated), Water (Slightly)
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.077742093
• Heavy Atom Count: 8
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Creatinine d3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(=O)N=C1N
• Isomeric SMILES: [2H]C([2H])([2H])N1CC(=O)N=C1N
• Uses: Labelled Creatinine. The end product of creatine catabolism. Normal constituent of urine. Also found together with creatine in muscle tissues and blood. Occurs in all soils and in grain seeds and other vegetable matter. Has been found in certain fish and in crab meat extract.