885268-08-6
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-(METHYLSULFONYL)-1-ETHANAMINE
Name1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-(METHYLSULFONYL)-1-ETHANAMINE
1Identification
【Name】
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-(METHYLSULFONYL)-1-ETHANAMINE
【CAS】
【MDL】
MFCD06409288
【English Synonyms】
【Formula】
C11 H15 N O4 S
【MolWeight】
257.309
【Inchi】
InChI=1S/C11H15NO4S/c1-17(13,14)7-9(12)8-2-3-10-11(6-8)16-5-4-15-10/h2-3,6,9H,4-5,7,12H2,1H3
【InChIKey】
InChIKey=UAWOIRCBLOWWOV-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)CC(c1ccc2c(c1)OCCO2)N
【MOL File】
1-(2,3-DIHYDRO-1,4-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-(METHYLSULFONYL)-1-ETHANAMINE.cml