2906-84-5
1-(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)-1-METHYLHEXAHYDRO-1H-AZEPINIUM IO DIDE
Name1-(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)-1-METHYLHEXAHYDRO-1H-AZEPINIUM IO DIDE
1Identification
【Name】
1-(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)-1-METHYLHEXAHYDRO-1H-AZEPINIUM IO DIDE
【CAS】
【MDL】
MFCD01665260
【English Synonyms】
【Formula】
C17 H26 N O3 . I
【MolWeight】
419.296
【Inchi】
InChI=1S/C17H26NO3.HI/c1-18(9-4-2-3-5-10-18)11-12-19-15-7-6-8-16-17(15)21-14-13-20-16;/h6-8H,2-5,9-14H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=KAOXMQZGJURCQP-UHFFFAOYSA-M
【SMILES】
C[N+]1(CCCCCC1)CCOc2cccc3c2OCCO3.[I-]
【MOL File】
1-(2-(1,4-BENZODIOXA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)-1-METHYLHEXAHYDRO-1H-AZEPINIUM IO DIDE.cml