596817-50-4
[1-(6-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[1-(6-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[1-(6-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607518
【English Synonyms】
【Formula】
C14 H21 Cl N4 O2
【MolWeight】
312.799
【Inchi】
InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)18-10-4-6-19(7-5-10)12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H,18,20)
【InChIKey】
InChIKey=NAQFSDLJNKKZAA-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCN(CC1)c2cc(ncn2)Cl
【MOL File】
[1-(6-CHLORO-PYRIMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[1-(6-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER.cml