59290-03-8
3-PYRIDINECARBOXAMIDE, N-BUTYL-2-METHYL-5-NITRO-
Name3-PYRIDINECARBOXAMIDE, N-BUTYL-2-METHYL-5-NITRO-
1Identification
【Name】
3-PYRIDINECARBOXAMIDE, N-BUTYL-2-METHYL-5-NITRO-
【CAS】
【MDL】
MFCD22052892
【English Synonyms】
【Formula】
C11 H15 N3 O3
【MolWeight】
237.258
【Inchi】
InChI=1S/C11H15N3O3/c1-3-4-5-12-11(15)10-6-9(14(16)17)7-13-8(10)2/h6-7H,3-5H2,1-2H3,(H,12,15)
【InChIKey】
InChIKey=PBVHDSFNYGMHFQ-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)c1cc(cnc1C)[N+](=O)[O-]
【MOL File】
3-PYRIDINECARBOXAMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PYRIDINECARBOXAMIDE, N-BUTYL-2-METHYL-5-NITRO-.cml