596817-39-9
(1-PYRIMIDIN-4-YL-PIPERIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(1-PYRIMIDIN-4-YL-PIPERIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(1-PYRIMIDIN-4-YL-PIPERIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09028513
【English Synonyms】
【Formula】
C14 H22 N4 O2
【MolWeight】
278.354
【Inchi】
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)17-11-5-8-18(9-6-11)12-4-7-15-10-16-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,19)
【InChIKey】
InChIKey=VEXKSFQGMHFQIT-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCN(CC1)c2ccncn2
【MOL File】
(1-PYRIMIDIN-4-YL-PI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-PYRIMIDIN-4-YL-PIPERIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml