190961-15-0
(S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDROBROMIDE
Name(S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDROBROMIDE
FormulaC10 H11 N O2 . Br H
1Identification
【Name】
(S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDROBROMIDE
【CAS】
【MDL】
MFCD03844655
【English Synonyms】
【Formula】
C10 H11 N O2 . Br H
【MolWeight】
258.114
【Inchi】
InChI=1S/C10H11NO2.BrH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H/t9-;/m0./s1
【InChIKey】
InChIKey=JCPYSZVJRRFVQW-FVGYRXGTSA-N
【SMILES】
c1ccc2c(c1)C[C@H](NC2)C(=O)O.Br
【MOL File】
(S)-1,2,3,4-TETRAHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDROBROMIDE.cml