1078634-01-1
N-METHYLMETHANAMINIUM 4-CYANO-1H-PYRAZOLE-5-CARBOXYLATE
NameN-METHYLMETHANAMINIUM 4-CYANO-1H-PYRAZOLE-5-CARBOXYLATE
FormulaC5 H2 N3 O2 . C2 H8 N
1Identification
【Name】
N-METHYLMETHANAMINIUM 4-CYANO-1H-PYRAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD02661869
【English Synonyms】
【Formula】
C5 H2 N3 O2 . C2 H8 N
【MolWeight】
182.182
【Inchi】
InChI=1S/C5H3N3O2.C2H7N/c6-1-3-2-7-8-4(3)5(9)10;1-3-2/h2H,(H,7,8)(H,9,10);3H,1-2H3
【InChIKey】
InChIKey=TZWBOELZSNWKIV-UHFFFAOYSA-N
【SMILES】
C[NH2+]C.c1c(c([nH]n1)C(=O)[O-])C#N
【MOL File】
N-METHYLMETHANAMINIU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-METHYLMETHANAMINIUM 4-CYANO-1H-PYRAZOLE-5-CARBOXYLATE.cml