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294-90-6

Basic Information
CAS No.: 294-90-6
Name: Cyclen
Article Data: 55
Cas Database
Molecular Structure:
Molecular Structure of 294-90-6 (Cyclen)
Formula: C8H20N4
Molecular Weight: 172.274
Synonyms: 1,4,7,10-Tetrazacyclododecane;NSC 629374;Tetraaza-12-crown-4;
EINECS: 202-928-3
Density: 0.874 g/cm3
Melting Point: 108-113 °C
Boiling Point: 283.8 °C at 760 mmHg
Flash Point: 129.5 °C
Solubility: almost transparency
Appearance: off- white to slightly yellow crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/38-36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 48.12000
LogP: -0.32640
Synthetic route
916671-24-4

tert-butyl 1,4,7,10-tetraazacyclododecane carboxylate

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane for 0.333333h;100%
294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide; bromine In water; toluene99.23%
With hydrogenchloride; sodium hydroxide; bromine In water; toluene99.23%
With hydrogenchloride; bromine In water pH=6;55%
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With hydrogenchloride95%
With potassium hydroxide In water at 0 - 10℃;91.3%
With potassium hydroxide
With sodium hydroxide In toluene at 40℃; for 1h; Reflux;13.77 g
With sodium hydroxide In water; toluene12 g

C11H13NO2

111-40-0

1,5-diamino-3-azapentane

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With 5%-palladium/activated carbon; hydrogen; potassium carbonate In 2-methyltetrahydrofuran at 15℃; for 4h; Reagent/catalyst; Temperature; Solvent;94.9%

2,3,4,5,6,7,8,8c-octahydro-1H-4a,6a,8a-triaza-2a-azoniacyclopent[fg]acenaphthylene bromide salt

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With potassium hydroxide In water at 100℃; Temperature;93.2%
With caustic In water for 0.5h; Heating;88%
With potassium hydroxide In water for 0.5h; Heating;71%
624-73-7

1,2-Diiodoethane

107-15-3

ethylenediamine

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With tetrabutylammomium bromide In ethanol at 80℃; for 8h;88.4%
52667-88-6

cyclen tetratosylate

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With sulfuric acid at 165℃;88%
Stage #1: cyclen tetratosylate With sulfuric acid at 100℃; for 0.05h; Microwave irradiation;
Stage #2: With hydrogenchloride In water
Stage #3: With sodium hydroxide In water
87%
With sulfuric acid at 100 - 105℃; Heating; 30-48 h;85%

1,4,7,10-tetraazatricyclo<8.2.1.14,7>tetradecane-13,14-dione

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With hydrazine hydrate In methanol at 20℃; for 20.5h; Solvent; Temperature; Reflux;87.21%
590-16-9

1-bromo-2-iodoethane

107-15-3

ethylenediamine

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With tetrabutylammomium bromide In ethanol at 80℃; for 8h;86%
107-15-3

ethylenediamine

106-93-4

ethylene dibromide

294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide In ethanol at 80℃; for 8h; Reagent/catalyst; Solvent; Temperature;85%
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    Chemical Name: Cyclen CAS No.: 294-90-6 Molecular Formula: C8H20N4 Molecular Weight: 172.27 Appearance: White to off-white solid Appearance:White crystal powder Storage: Store in cool and dry place, away from sun light. Package:Drum Applica

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    Cyclen/1,4,7,10-Tetrazacyclododecane 294-90-6 EINECS 425-450-9 Molecular Formula: C8H20N4 Molecular Weight: 172.27 MP.109-114.5°C Appearance: Light yellow crystalline or white crystal powder. Property: It f

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  • Cyclen CAS NO.294-90-6

  • Casno:

    294-90-6

    Cyclen CAS NO.294-90-6

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Specification

The Cyclen with cas registry number of 294-90-6 is also called 1,4,7,10-Tetraazacyclododecane which is also its systematic name and IUPAC name. Its EINECS registry number is 202-928-3. This chemical, with appearance of almost white to slightly yellow crystalline powder, belongs to the classes of Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry; Ring Systems.

Physical properties about this chemical are: (1)ACD/LogP: -2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.44; (4)ACD/LogD (pH 7.4): -6.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.96 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 50.28 cm3; (15)Molar Volume: 197 cm3; (16)Surface Tension: 27.6 dyne/cm; (17)Density: 0.874 g/cm3; (18)Flash Point: 129.5 °C ; (19)Enthalpy of Vaporization: 52.28 kJ/mol ; (20)Boiling Point: 283.8 °C at 760 mmHg ; (21)Vapour Pressure: 0.00309 mmHg at 25°C.

Uses of Cyclen: it can react with formaldehyde to give 1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane at pressure 760.0002 using reagent formic acid, solvent water, and other conditions like heating. The reaction time is about 30 hours. The yield is 55%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. This chemical should be stored in refrigerator.

You can still convert the following datas into molecular structure:
(1)SMILES: N1CCNCCNCCNCC1;
(2)InChI: InChI=1/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2;
(3)InChIKey: QBPPRVHXOZRESW-UHFFFAOYAQ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 435mg/kg (435mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 425, 1984.
rat LD50 intravenous 388mg/kg (388mg/kg)   Naturwissenschaften. Vol. 70, Pg. 201, 1983.