4-{Bis[(¹³C)Methyl]Amino}-1,5-Dimethyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One
[CAS# 60433-90-1]

Identification

• Name: 4-{Bis[(¹³C)Methyl]Amino}-1,5-Dimethyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One
• Synonyms: 4- ANTIPYRINE; 4-(Dimethyl-13C2-amino)antipyrine; Aminopyrine-4-(dimethylamino-13C2)
• Molecular Formula: C₁₁₁₃C₂H₁₇N₃O
• Molecular Weight: 233.28
• CAS Registry Number: 60433-90-1
• SMILES: Cc1c(c(=O)n(n1C)c2ccccc2)N(C)C
• InChI: 1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3/i2+1,3+1
• InChIKey: RMMXTBMQSGEXHJ-SUEIGJEOSA-N

Properties

• Density: 1.18g/cm³ (Cal.)