113120-63-1
3-AMINO-6-(4-METHYLPHENYL)PYRAZINECARBOXYLIC ACIDETHYL ESTER-4-OXIDE
Name3-AMINO-6-(4-METHYLPHENYL)PYRAZINECARBOXYLIC ACIDETHYL ESTER-4-OXIDE
1Identification
【Name】
3-AMINO-6-(4-METHYLPHENYL)PYRAZINECARBOXYLIC ACIDETHYL ESTER-4-OXIDE
【CAS】
【MDL】
MFCD00234856
【English Synonyms】
【Formula】
C14 H15 N3 O3
【MolWeight】
273.29
【Inchi】
InChI=1S/C14H15N3O3/c1-3-20-14(18)12-13(15)17(19)8-11(16-12)10-6-4-9(2)5-7-10/h4-8H,3,15H2,1-2H3
【InChIKey】
InChIKey=GVRGDHMLZHCXBE-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c([n+](cc(n1)c2ccc(cc2)C)[O-])N
【MOL File】
3-AMINO-6-(4-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-6-(4-METHYLPHENYL)PYRAZINECARBOXYLIC ACIDETHYL ESTER-4-OXIDE.cml