57464-66-1
4-(1,2,3,4-TETRAHYDROISOQUINOLIN-1-YLMETHYL)PYROCATECHOL HYDROCHLORIDE
Name4-(1,2,3,4-TETRAHYDROISOQUINOLIN-1-YLMETHYL)PYROCATECHOL HYDROCHLORIDE
FormulaC16 H17 N O2 . Cl H
1Identification
【Name】
4-(1,2,3,4-TETRAHYDROISOQUINOLIN-1-YLMETHYL)PYROCATECHOL HYDROCHLORIDE
【CAS】
【MDL】
MFCD01688741
【English Synonyms】
【Formula】
C16 H17 N O2 . Cl H
【MolWeight】
291.776
【Inchi】
InChI=1S/C16H17NO2.ClH/c18-15-6-5-11(10-16(15)19)9-14-13-4-2-1-3-12(13)7-8-17-14;/h1-6,10,14,17-19H,7-9H2;1H
【InChIKey】
InChIKey=DBFYONUPGMLUFZ-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCNC2Cc3ccc(c(c3)O)O.Cl
【MOL File】
4-(1,2,3,4-TETRAHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(1,2,3,4-TETRAHYDROISOQUINOLIN-1-YLMETHYL)PYROCATECHOL HYDROCHLORIDE.cml