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6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil Structure

6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil

Chemical Properties

Melting point 156-158°
Boiling point 513.42°C (rough estimate)
Density  1.2058 (rough estimate)
refractive index  1.7600 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO: 25 mg/mL (64.52 mM); Water: < 0.1 mg/mL (insoluble)
form  powder to crystal
pka 7.10(at 25℃)
color  White to Light yellow to Light orange
λmax 268nm(MeOH)(lit.)
Merck  14,9865
InChI InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
InChIKey ICMGLRUYEQNHPF-UHFFFAOYSA-N
SMILES C1(=O)N(C)C(NCCCN2CCN(C3=CC=CC=C3OC)CC2)=CC(=O)N1C
CAS DataBase Reference 34661-75-1(CAS DataBase Reference)

Safety Information

Hazard Codes  Xn
Risk Statements  22-36/37/38
Safety Statements  26
RTECS  YQ9862000
HS Code  2933.59.8000
Toxicity LD50 in male mice, rats (mg/kg): 750, 550 orally; 260, 145 i.v. (Koenig)

Usage And Synthesis

Preparation Products And Raw materials

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