791048-46-9
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1,3-DIMETHYL-7-NITRO-, (1R,3R)-
NameISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1,3-DIMETHYL-7-NITRO-, (1R,3R)-
1Identification
【Name】
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1,3-DIMETHYL-7-NITRO-, (1R,3R)-
【CAS】
【MDL】
MFCD18832657
【English Synonyms】
【Formula】
C11 H14 N2 O2
【MolWeight】
206.244
【Inchi】
InChI=1S/C11H14N2O2/c1-7-5-9-3-4-10(13(14)15)6-11(9)8(2)12-7/h3-4,6-8,12H,5H2,1-2H3/t7-,8-/m1/s1
【InChIKey】
InChIKey=IAHYHYRUXIBBJR-HTQZYQBOSA-N
【SMILES】
C[C@@H]1Cc2ccc(cc2[C@H](N1)C)[N+](=O)[O-]
【MOL File】
ISOQUINOLINE, 1,2,3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1,3-DIMETHYL-7-NITRO-, (1R,3R)-.cml