54622-44-5
2,2,4,9,9,11-HEXAMETHYLTETRAAZA-14-CROWN-4 HYDRATE
Name2,2,4,9,9,11-HEXAMETHYLTETRAAZA-14-CROWN-4 HYDRATE
1Identification
【Name】
2,2,4,9,9,11-HEXAMETHYLTETRAAZA-14-CROWN-4 HYDRATE
【CAS】
【MDL】
MFCD00167184
【English Synonyms】
【Formula】
C16 H36 N4 . H2 O
【MolWeight】
302.503
【Inchi】
InChI=1S/C16H36N4.H2O/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;/h13-14,17-20H,7-12H2,1-6H3;1H2
【InChIKey】
InChIKey=DWMIHWCOTXJXHL-UHFFFAOYSA-N
【SMILES】
CC1CC(NCCNC(CC(NCCN1)(C)C)C)(C)C.O
【MOL File】
2,2,4,9,9,11-HEXAMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,2,4,9,9,11-HEXAMETHYLTETRAAZA-14-CROWN-4 HYDRATE.cml