158631-83-5
8-CHLORO-4-HYDROXY-2-(2-(4-METHYL-1-PIPERAZINYL)-2-OXOETHYL)CINNOLINIUM INNER SALT
Name8-CHLORO-4-HYDROXY-2-(2-(4-METHYL-1-PIPERAZINYL)-2-OXOETHYL)CINNOLINIUM INNER SALT
1Identification
【Name】
8-CHLORO-4-HYDROXY-2-(2-(4-METHYL-1-PIPERAZINYL)-2-OXOETHYL)CINNOLINIUM INNER SALT
【CAS】
【MDL】
MFCD01752114
【English Synonyms】
【Formula】
C15 H17 Cl N4 O2
【MolWeight】
320.778
【Inchi】
InChI=1S/C15H17ClN4O2/c1-18-5-7-19(8-6-18)14(22)10-20-9-13(21)11-3-2-4-12(16)15(11)17-20/h2-4,9H,5-8,10H2,1H3
【InChIKey】
InChIKey=YVNXKPOSPMHMJD-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)C(=O)C[n+]2cc(c3cccc(c3n2)Cl)[O-]
【MOL File】
8-CHLORO-4-HYDROXY-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-CHLORO-4-HYDROXY-2-(2-(4-METHYL-1-PIPERAZINYL)-2-OXOETHYL)CINNOLINIUM INNER SALT.cml