174603-13-5
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID SULFATE
Name
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID SULFATE
Formula
C14 H26 N4 O6 . H2 O4 S
MolWeight
444.459
1Identification
【Name】
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID SULFATE
【CAS】
【MDL】
MFCD23380155
【English Synonyms】
【Formula】
C14 H26 N4 O6 . H2 O4 S
【MolWeight】
444.459
【Inchi】
InChI=1S/C14H26N4O6.H2O4S/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;1-5(2,3)4/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24);(H2,1,2,3,4)
【InChIKey】
InChIKey=XGACDHGBTFKJGR-UHFFFAOYSA-N
【SMILES】
C1CN(CCN(CCN(CCN1)CC(=O)O)CC(=O)O)CC(=O)O.OS(=O)(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:10
XLogP3:-6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID SULFATE.cml
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