2-Amino-2-Methyl-D3-Propane-1,1,1,3,3,3-D6
[CAS# 6045-08-5]

Identification

• Name: 2-Amino-2-Methyl-D3-Propane-1,1,1,3,3,3-D6
• Synonyms: (4Z)-4-(Dimethylaminomethylene)-2-(4-Nitrophenyl)-5-Propyl-Pyrazol-3-One; (4Z)-4-(Dimethylaminomethylene)-2-(4-Nitrophenyl)-5-Propyl-3-Pyrazolone; (4Z)-4-(Dimethylaminomethylidene)-2-(4-Nitrophenyl)-5-Propyl-Pyrazol-3-One
• Molecular Formula: C₁₅H₁₈N₄O₃
• Molecular Weight: 302.33
• CAS Registry Number: 6045-08-5
• SMILES: C2=C(N1N=C(C(/C1=O)=C/N(C)C)CCC)C=CC(=C2)[N+]([O-])=O
• InChI: 1S/C15H18N4O3/c1-4-5-14-13(10-17(2)3)15(20)18(16-14)11-6-8-12(9-7-11)19(21)22/h6-10H,4-5H2,1-3H3/b13-10-
• InChIKey: AEEVGUCYDLTPHK-RAXLEYEMSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 424.79°C at 760 mmHg (Cal.)
• Flash point: 210.706°C (Cal.)