780004-18-4
ETHYL 6-HYDROXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLATE
NameETHYL 6-HYDROXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLATE
1Identification
【Name】
ETHYL 6-HYDROXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD04114839
【English Synonyms】
【Formula】
C12 H15 N O3
【MolWeight】
221.255
【Inchi】
InChI=1S/C12H15NO3/c1-2-16-12(15)11-10-4-3-9(14)7-8(10)5-6-13-11/h3-4,7,11,13-14H,2,5-6H2,1H3
【InChIKey】
InChIKey=UYKVSJYMKQPONE-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1c2ccc(cc2CCN1)O
【MOL File】
ETHYL 6-HYDROXY-1,2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-HYDROXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLATE.cml