622386-08-7
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD11521572
【English Synonyms】
【Formula】
C13 H19 Br N4 O2
【MolWeight】
343.223
【Inchi】
InChI=1S/C13H19BrN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-10(14)8-16-11/h8-9H,4-7H2,1-3H3
【InChIKey】
InChIKey=BOSDHRPQGUJQLK-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2cnc(cn2)Br
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-(5-BROMOPYRAZINYL)-, 1,1-DIMETHYLETHYL ESTER.cml