859956-26-6
4-(BUTAN-2-YL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
Name4-(BUTAN-2-YL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
1Identification
【Name】
4-(BUTAN-2-YL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
【CAS】
【MDL】
MFCD17018196
【English Synonyms】
【Formula】
C8 H14 N2 O
【MolWeight】
154.212
【Inchi】
InChI=1S/C8H14N2O/c1-4-5(2)7-6(3)9-10-8(7)11/h5,7H,4H2,1-3H3,(H,10,11)
【InChIKey】
InChIKey=DBJCQMJEYDPJEC-UHFFFAOYSA-N
【SMILES】
CCC(C)C1C(=NNC1=O)C
【MOL File】
4-(BUTAN-2-YL)-3-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(BUTAN-2-YL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE.cml