944086-67-3
(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE HYDROCHLORIDE
Name(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE HYDROCHLORIDE
FormulaC11 H20 N2 O2 . Cl H
1Identification
【Name】
(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE HYDROCHLORIDE
【CAS】
【MDL】
MFCD05663674
【English Synonyms】
【Formula】
C11 H20 N2 O2 . Cl H
【MolWeight】
248.752
【Inchi】
InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-7-8-4-5-9(13)6-12-8;/h8-9,12H,4-7H2,1-3H3;1H/t8-,9-;/m0./s1
【InChIKey】
InChIKey=LWGQWSDLRMTPCC-OZZZDHQUSA-N
【SMILES】
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2.Cl
【MOL File】
(1S,4S)-TERT-BUTYL 2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE HYDROCHLORIDE.cml