127686-49-1
4-[(ACETOXYMETHYL)NITROSAMINO]-1-(3-PYRIDYL)-1-BUTANONE
Name4-[(ACETOXYMETHYL)NITROSAMINO]-1-(3-PYRIDYL)-1-BUTANONE
1Identification
【Name】
4-[(ACETOXYMETHYL)NITROSAMINO]-1-(3-PYRIDYL)-1-BUTANONE
【CAS】
【MDL】
MFCD00871757
【English Synonyms】
【Formula】
C12 H15 N3 O4
【MolWeight】
265.267
【Inchi】
InChI=1S/C12H15N3O4/c1-10(16)19-9-15(14-18)7-3-5-12(17)11-4-2-6-13-8-11/h2,4,6,8H,3,5,7,9H2,1H3
【InChIKey】
InChIKey=PGOGEOISASKDLL-UHFFFAOYSA-N
【SMILES】
CC(=O)OCN(CCCC(=O)c1cccnc1)N=O
【MOL File】
4-[(ACETOXYMETHYL)NI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-[(ACETOXYMETHYL)NITROSAMINO]-1-(3-PYRIDYL)-1-BUTANONE.cml