101077-29-6
1H,5H-BENZO(IJ)QUINOLIZINIUM, 2,3,6,7-TETRAHYDRO-9-(HYDROXYMETHYL)-4-M ETHYL-, IODIDE
Name1H,5H-BENZO(IJ)QUINOLIZINIUM, 2,3,6,7-TETRAHYDRO-9-(HYDROXYMETHYL)-4-M ETHYL-, IODIDE
1Identification
【Name】
1H,5H-BENZO(IJ)QUINOLIZINIUM, 2,3,6,7-TETRAHYDRO-9-(HYDROXYMETHYL)-4-M ETHYL-, IODIDE
【CAS】
【MDL】
MFCD01663027
【English Synonyms】
【Formula】
C14 H20 N O . I
【MolWeight】
345.218
【Inchi】
InChI=1S/C14H20NO.HI/c1-15-6-2-4-12-8-11(10-16)9-13(14(12)15)5-3-7-15;/h8-9,16H,2-7,10H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=WKZGBPJVYLCXAF-UHFFFAOYSA-M
【SMILES】
C[N+]12CCCc3c1c(cc(c3)CO)CCC2.[I-]
【MOL File】
1H,5H-BENZO(IJ)QUINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H,5H-BENZO(IJ)QUINOLIZINIUM, 2,3,6,7-TETRAHYDRO-9-(HYDROXYMETHYL)-4-M ETHYL-, IODIDE.cml