77140-96-6
7-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Name7-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
7-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09998908
【English Synonyms】
【Formula】
C12 H15 N O2
【MolWeight】
205.255
【Inchi】
InChI=1S/C12H15NO2/c1-2-8-3-4-9-6-11(12(14)15)13-7-10(9)5-8/h3-5,11,13H,2,6-7H2,1H3,(H,14,15)
【InChIKey】
InChIKey=PPDGNOWYYIBGPE-UHFFFAOYSA-N
【SMILES】
CCc1ccc2c(c1)CNC(C2)C(=O)O
【MOL File】
7-ETHYL-1,2,3,4-TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID.cml