746603-40-7
4-[(3-NITROPHENYL)METHYLENE]-PIPERIDINE
Name4-[(3-NITROPHENYL)METHYLENE]-PIPERIDINE
1Identification
【Name】
4-[(3-NITROPHENYL)METHYLENE]-PIPERIDINE
【CAS】
【MDL】
MFCD13192300
【English Synonyms】
【Formula】
C12 H14 N2 O2
【MolWeight】
218.255
【Inchi】
InChI=1S/C12H14N2O2/c15-14(16)12-3-1-2-11(9-12)8-10-4-6-13-7-5-10/h1-3,8-9,13H,4-7H2
【InChIKey】
InChIKey=BZSLYUMJDRXQLU-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])C=C2CCNCC2
【MOL File】
4-[(3-NITROPHENYL)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(3-NITROPHENYL)METHYLENE]-PIPERIDINE.cml