596817-49-1
[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09028512
【English Synonyms】
【Formula】
C14 H21 Cl N4 O2
【MolWeight】
312.799
【Inchi】
InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)17-10-5-8-19(9-6-10)11-4-7-16-12(15)18-11/h4,7,10H,5-6,8-9H2,1-3H3,(H,17,20)
【InChIKey】
InChIKey=IDPAGRMFQKXGMZ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCN(CC1)c2ccnc(n2)Cl
【MOL File】
[1-(2-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-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER.cml