51713-81-6
(S)-(+)-N-METHYLISOSALSOLINE HYDROCHLORIDE
Name(S)-(+)-N-METHYLISOSALSOLINE HYDROCHLORIDE
FormulaC12 H17 N O2 . Cl H
1Identification
【Name】
(S)-(+)-N-METHYLISOSALSOLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01716979
【English Synonyms】
【Formula】
C12 H17 N O2 . Cl H
【MolWeight】
243.732
【Inchi】
InChI=1S/C12H17NO2.ClH/c1-8-10-7-11(14)12(15-3)6-9(10)4-5-13(8)2;/h6-8,14H,4-5H2,1-3H3;1H/t8-;/m0./s1
【InChIKey】
InChIKey=PATUPDPPWJDPTF-QRPNPIFTSA-N
【SMILES】
C[C@H]1c2cc(c(cc2CCN1C)OC)O.Cl
【MOL File】
(S)-(+)-N-METHYLISOS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-(+)-N-METHYLISOSALSOLINE HYDROCHLORIDE.cml