1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
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1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
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CAS No:
162148-48-3
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Formula:
C20H40N4O4
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Chemical Name:
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
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Synonyms:
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane;1,4,7,10-Tetraazacyclododecane-1,7-bis(t-butyl acetate);DO2A-t-Bu-ester(M-120);NSC 696842;1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, bis(1,1-diMethylethyl) ester;Di-tert-butyl 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate
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CAS No:
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane Basic Attributes
400.564
400.304962
696842
DTXSID70327857
Characteristics
83.14000
2.97
0.998±0.06 g/cm3(Predicted)
488.6±45.0 °C(Predicted)
249.3±28.7 °C
1.460
soluble in acetone, acetonitrile, ethyl Acetate,chloroforme, cyclohexane. Insoluble in water.
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane Use and Manufacturing
Intermediate in the preparation of chelating agents.
Computed Properties
Molecular Weight:400.6
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:400.30495577
Monoisotopic Mass:400.30495577
Topological Polar Surface Area:83.1
Heavy Atom Count:28
Complexity:430
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
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