577032-41-8
1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(2-THIENYL)
Name1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(2-THIENYL)
1Identification
【Name】
1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(2-THIENYL)
【CAS】
【MDL】
MFCD20265453
【English Synonyms】
【Formula】
C13 H19 N O2 S
【MolWeight】
253.364
【Inchi】
InChI=1S/C13H19NO2S/c14-10-12(11-2-1-9-17-11)3-5-13(6-4-12)15-7-8-16-13/h1-2,9H,3-8,10,14H2
【InChIKey】
InChIKey=XNSVWDWRADNDCD-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)C2(CCC3(CC2)OCCO3)CN
【MOL File】
1,4-DIOXASPIRO[4.5]D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(2-THIENYL).cml