73972-91-5
1(2H)-PHTHALAZINONE, 4-(P-BROMOBENZYL)-2-(2-(DIMETHYLAMINO)ETHYL)-, HY DROCHLORIDE
Name1(2H)-PHTHALAZINONE, 4-(P-BROMOBENZYL)-2-(2-(DIMETHYLAMINO)ETHYL)-, HY DROCHLORIDE
FormulaC19 H20 Br N3 O . Cl H
1Identification
【Name】
1(2H)-PHTHALAZINONE, 4-(P-BROMOBENZYL)-2-(2-(DIMETHYLAMINO)ETHYL)-, HY DROCHLORIDE
【CAS】
【MDL】
MFCD01704611
【English Synonyms】
【Formula】
C19 H20 Br N3 O . Cl H
【MolWeight】
422.752
【Inchi】
InChI=1S/C19H20BrN3O.ClH/c1-22(2)11-12-23-19(24)17-6-4-3-5-16(17)18(21-23)13-14-7-9-15(20)10-8-14;/h3-10H,11-13H2,1-2H3;1H
【InChIKey】
InChIKey=AVWGBRBHVUSCHS-UHFFFAOYSA-N
【SMILES】
CN(C)CCn1c(=O)c2ccccc2c(n1)Cc3ccc(cc3)Br.Cl
【MOL File】
1(2H)-PHTHALAZINONE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1(2H)-PHTHALAZINONE, 4-(P-BROMOBENZYL)-2-(2-(DIMETHYLAMINO)ETHYL)-, HY DROCHLORIDE.cml