55724-33-9
1-(2,2-DIMETHYLPROPYL)ISOQUINOLINE
Name1-(2,2-DIMETHYLPROPYL)ISOQUINOLINE
1Identification
【Name】
1-(2,2-DIMETHYLPROPYL)ISOQUINOLINE
【CAS】
【MDL】
MFCD18972821
【English Synonyms】
【Formula】
C14 H17 N
【MolWeight】
199.295
【Inchi】
InChI=1S/C14H17N/c1-14(2,3)10-13-12-7-5-4-6-11(12)8-9-15-13/h4-9H,10H2,1-3H3
【InChIKey】
InChIKey=OPFFYDNTKKPJMI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)Cc1c2ccccc2ccn1
【MOL File】
1-(2,2-DIMETHYLPROPY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,2-DIMETHYLPROPYL)ISOQUINOLINE.cml