927695-98-5
3-CHLORO-4-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE
Name3-CHLORO-4-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE
1Identification
【Name】
3-CHLORO-4-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE
【CAS】
【MDL】
MFCD11038627
【English Synonyms】
【Formula】
C12 H14 Cl N3
【MolWeight】
235.717
【Inchi】
InChI=1S/C12H14ClN3/c1-15-4-6-16(7-5-15)12-3-2-10(9-14)8-11(12)13/h2-3,8H,4-7H2,1H3
【InChIKey】
InChIKey=CQICSKXDPLEBKC-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)c2ccc(cc2Cl)C#N
【MOL File】
3-CHLORO-4-(4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-4-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE.cml