866151-77-1
1-(2,2,4-TRIMETHYL-7-NITRO-2,3-DIHYDRO-1-BENZOFURAN-3-YL)PIPERIDINE
Name1-(2,2,4-TRIMETHYL-7-NITRO-2,3-DIHYDRO-1-BENZOFURAN-3-YL)PIPERIDINE
1Identification
【Name】
1-(2,2,4-TRIMETHYL-7-NITRO-2,3-DIHYDRO-1-BENZOFURAN-3-YL)PIPERIDINE
【CAS】
【MDL】
MFCD05669238
【English Synonyms】
【Formula】
C16 H22 N2 O3
【MolWeight】
290.361
【Inchi】
InChI=1S/C16H22N2O3/c1-11-7-8-12(18(19)20)14-13(11)15(16(2,3)21-14)17-9-5-4-6-10-17/h7-8,15H,4-6,9-10H2,1-3H3
【InChIKey】
InChIKey=FQRSRRCCNFUWDY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c2c1C(C(O2)(C)C)N3CCCCC3)[N+](=O)[O-]
【MOL File】
1-(2,2,4-TRIMETHYL-7….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,2,4-TRIMETHYL-7-NITRO-2,3-DIHYDRO-1-BENZOFURAN-3-YL)PIPERIDINE.cml