55134-03-7
5-ETHYL-1,3-DIMETHYL-5-SEC-BUTYLBARBITURIC ACID
Name5-ETHYL-1,3-DIMETHYL-5-SEC-BUTYLBARBITURIC ACID
1Identification
【Name】
5-ETHYL-1,3-DIMETHYL-5-SEC-BUTYLBARBITURIC ACID
【CAS】
【MDL】
MFCD18972012
【English Synonyms】
【Formula】
C12 H20 N2 O3
【MolWeight】
240.301
【Inchi】
InChI=1S/C12H20N2O3/c1-6-8(3)12(7-2)9(15)13(4)11(17)14(5)10(12)16/h8H,6-7H2,1-5H3
【InChIKey】
InChIKey=GDYZVNWWINOYGP-UHFFFAOYSA-N
【SMILES】
CCC(C)C1(C(=O)N(C(=O)N(C1=O)C)C)CC
【MOL File】
5-ETHYL-1,3-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-ETHYL-1,3-DIMETHYL-5-SEC-BUTYLBARBITURIC ACID.cml