927693-12-7
2-CHLORO-4-(4-ETHYLPIPERAZIN-1-YL)BENZONITRILE
Name2-CHLORO-4-(4-ETHYLPIPERAZIN-1-YL)BENZONITRILE
1Identification
【Name】
2-CHLORO-4-(4-ETHYLPIPERAZIN-1-YL)BENZONITRILE
【CAS】
【MDL】
MFCD11038693
【English Synonyms】
【Formula】
C13 H16 Cl N3
【MolWeight】
249.743
【Inchi】
InChI=1S/C13H16ClN3/c1-2-16-5-7-17(8-6-16)12-4-3-11(10-15)13(14)9-12/h3-4,9H,2,5-8H2,1H3
【InChIKey】
InChIKey=YWJXGOMOJHYIGO-UHFFFAOYSA-N
【SMILES】
CCN1CCN(CC1)c2ccc(c(c2)Cl)C#N
【MOL File】
2-CHLORO-4-(4-ETHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-4-(4-ETHYLPIPERAZIN-1-YL)BENZONITRILE.cml