77140-88-6
1,2,3,4-TETRAHYDRO-7-METHOXY-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE
Name1,2,3,4-TETRAHYDRO-7-METHOXY-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE
FormulaC11 H13 N O3 . Cl H
1Identification
【Name】
1,2,3,4-TETRAHYDRO-7-METHOXY-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD11848798
【English Synonyms】
【Formula】
C11 H13 N O3 . Cl H
【MolWeight】
243.689
【Inchi】
InChI=1S/C11H13NO3.ClH/c1-15-9-3-2-7-5-10(11(13)14)12-6-8(7)4-9;/h2-4,10,12H,5-6H2,1H3,(H,13,14);1H
【InChIKey】
InChIKey=QNJDWHYMXFRWLU-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)CNC(C2)C(=O)O.Cl
【MOL File】
1,2,3,4-TETRAHYDRO-7….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-7-METHOXY-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE.cml