887978-99-6
1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(3-CHLOROPHENYL)
Name1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(3-CHLOROPHENYL)
1Identification
【Name】
1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(3-CHLOROPHENYL)
【CAS】
【MDL】
MFCD06410586
【English Synonyms】
【Formula】
C15 H20 Cl N O2
【MolWeight】
281.781
【Inchi】
InChI=1S/C15H20ClNO2/c16-13-3-1-2-12(10-13)14(11-17)4-6-15(7-5-14)18-8-9-19-15/h1-3,10H,4-9,11,17H2
【InChIKey】
InChIKey=JTNDOFORRPLZQI-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)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:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIOXASPIRO[4.5]DECANE-8-METHANAMINE, 8-(3-CHLOROPHENYL).cml