636998-09-9
TERT-BUTYL 4-(7-BROMOISOQUINOLIN-1-YL)PIPERAZINE-1-CARBOXYLATE
NameTERT-BUTYL 4-(7-BROMOISOQUINOLIN-1-YL)PIPERAZINE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 4-(7-BROMOISOQUINOLIN-1-YL)PIPERAZINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD15832795
【English Synonyms】
【Formula】
C18 H22 Br N3 O2
【MolWeight】
392.295
【Inchi】
InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-15-12-14(19)5-4-13(15)6-7-20-16/h4-7,12H,8-11H2,1-3H3
【InChIKey】
InChIKey=NKJRXKCTZIAAJK-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2c3cc(ccc3ccn2)Br
【MOL File】
TERT-BUTYL 4-(7-BROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 4-(7-BROMOISOQUINOLIN-1-YL)PIPERAZINE-1-CARBOXYLATE.cml