170097-66-2
2-TERT-BUTYL 6-METHYL 3,4-DIHYDROISOQUINOLINE-2,6(1H)-DICARBOXYLATE
Name2-TERT-BUTYL 6-METHYL 3,4-DIHYDROISOQUINOLINE-2,6(1H)-DICARBOXYLATE
1Identification
【Name】
2-TERT-BUTYL 6-METHYL 3,4-DIHYDROISOQUINOLINE-2,6(1H)-DICARBOXYLATE
【CAS】
【MDL】
MFCD08275038
【English Synonyms】
【Formula】
C16 H21 N O4
【MolWeight】
291.345
【Inchi】
InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-8-7-11-9-12(14(18)20-4)5-6-13(11)10-17/h5-6,9H,7-8,10H2,1-4H3
【InChIKey】
InChIKey=PENHSKQWTCPDFD-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2cc(ccc2C1)C(=O)OC
【MOL File】
2-TERT-BUTYL 6-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-TERT-BUTYL 6-METHYL 3,4-DIHYDROISOQUINOLINE-2,6(1H)-DICARBOXYLATE.cml