50996-12-8
6-AMINO-1-METHYL-5-NITRO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
Name6-AMINO-1-METHYL-5-NITRO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
1Identification
【Name】
6-AMINO-1-METHYL-5-NITRO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
【CAS】
【MDL】
MFCD00091865
【English Synonyms】
【Formula】
C5 H6 N4 O4
【MolWeight】
186.126
【Inchi】
InChI=1S/C5H6N4O4/c1-8-3(6)2(9(12)13)4(10)7-5(8)11/h6H2,1H3,(H,7,10,11)
【InChIKey】
InChIKey=MIWHTOMZYBTGCT-UHFFFAOYSA-N
【SMILES】
Cn1c(c(c(=O)[nH]c1=O)[N+](=O)[O-])N
【MOL File】
6-AMINO-1-METHYL-5-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-AMINO-1-METHYL-5-NITRO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE.cml