1,4,7,10-Tetraazacyclododecane
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1,4,7,10-Tetraazacyclododecane
structure -
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CAS No:
294-90-6
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Formula:
C8H20N4
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Chemical Name:
1,4,7,10-Tetraazacyclododecane
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Synonyms:
1,4,7,10-Tetraazacyclododecane;Cyclen;Tetraaza-12-crown-4;NSC 629374;1,4,7,10-Tetrazacyclododecane
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CAS No:
Description
Cyclen is the aza analogue of crown ether, used as a precursor for MRI contrast agents, and is an intermediate for the preparation of effective macrocyclic chelates[1].
1,4,7,10-tetraazacyclododecane is an azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms. It is a saturated organic heteromonocyclic parent, a crown amine and an azacycloalkane.
1,4,7,10-Tetraazacyclododecane Basic Attributes
172.27100
172.27
608-365-3
964584YO2O
629374
DTXSID60183621
2933990090
Characteristics
48.12000
-2.4
off- white to slightly yellow crystalline powder
0.874 g/cm3
110-113 °C
283.8ºC at 760 mmHg
129.5ºC
1.424
almost transparency
Refrigerator
0.00309mmHg at 25°C
Safety Information
I; II; III
NONH for all modes of transport
3
R36/38
S26-S36
XA5253000
Xi
hygroscopic
P273-P280-P305 + P351 + P338-P310-P501
H302-H312-H314-H410
|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P391, P405, and P501|H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P391, P405, and P501|Aggregated GHS information provided by 13 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,4,7,10-Tetraazacyclododecane Use and Manufacturing
Macrocyclic aza analogue of the crown ether 12-crown-4. Cyclen compounds are capable of selectively binding cations and are used as a ligand with chemicals used in MRI contrast (as well ass other imaging) agents.
Computed Properties
Molecular Weight:172.27
XLogP3:-2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Exact Mass:172.16879665
Monoisotopic Mass:172.16879665
Topological Polar Surface Area:48.1
Heavy Atom Count:12
Complexity:65.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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