596809-54-0
4-[2-(2,3-DIOXO-1-PIPERAZINYL)ETHOXY]-BENZONITRILE
Name
4-[2-(2,3-DIOXO-1-PIPERAZINYL)ETHOXY]-BENZONITRILE
Formula
C13 H13 N3 O3
MolWeight
259.264
1Identification
【Name】
4-[2-(2,3-DIOXO-1-PIPERAZINYL)ETHOXY]-BENZONITRILE
【CAS】
【MDL】
MFCD22051536
【English Synonyms】
【Formula】
C13 H13 N3 O3
【MolWeight】
259.264
【Inchi】
InChI=1S/C13H13N3O3/c14-9-10-1-3-11(4-2-10)19-8-7-16-6-5-15-12(17)13(16)18/h1-4H,5-8H2,(H,15,17)
【InChIKey】
InChIKey=OGGGKVWNYZHDEI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C#N)OCCN2CCNC(=O)C2=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safe Code】
【WGK Germany】
3
4CML File
4-[2-(2,3-DIOXO-1-PIPERAZINYL)ETHOXY]-BENZONITRILE.cml
Quick Release
3-[(4-PROPYLPIPERIDINE-1-CARBONYL)AMINO]BUTANOIC ACID
[2-(2,3-DIHYDRO-1H-ISOINDOL-2-YL)PYRIDIN-4-YL]METHANOL
[6-(2,3-DIHYDRO-1H-ISOINDOL-2-YL)PYRIDIN-3-YL]METHANOL
2-[4-(CHLOROMETHYL)PYRIDIN-2-YL]-2,3-DIHYDRO-1H-ISOINDOLE
2-[3-(CHLOROMETHYL)-4,6-DIMETHYLPYRIDIN-2-YL]-2,3-DIHYDRO-1H-ISOINDOLE
2-[2-(3-BROMOPHENOXY)ETHYL]-2,3-DIHYDRO-1H-ISOINDOLE
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