101496-03-1
1-PHENYL-2,3-DIMETHYL-4-N-BUTYL-5-PYRAZOLON
Name1-PHENYL-2,3-DIMETHYL-4-N-BUTYL-5-PYRAZOLON
1Identification
【Name】
1-PHENYL-2,3-DIMETHYL-4-N-BUTYL-5-PYRAZOLON
【CAS】
【MDL】
MFCD01664572
【English Synonyms】
【Formula】
C15 H20 N2 O
【MolWeight】
244.336
【Inchi】
InChI=1S/C15H20N2O/c1-4-5-11-14-12(2)16(3)17(15(14)18)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
【InChIKey】
InChIKey=BNBDCFNLLNBTIU-UHFFFAOYSA-N
【SMILES】
CCCCc1c(n(n(c1=O)c2ccccc2)C)C
【MOL File】
1-PHENYL-2,3-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PHENYL-2,3-DIMETHYL-4-N-BUTYL-5-PYRAZOLON.cml