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CAS No.: | 295-37-4 |
---|---|
Name: | 1,4,8,11-Tetraazacyclotetradecane |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C10H24N4 |
Molecular Weight: | 200.327 |
Synonyms: | Cyclam;JM1498;NSC 180811; |
EINECS: | 206-039-1 |
Density: | 0.862 g/cm3 |
Melting Point: | 184-186 °C(lit.) |
Boiling Point: | 321.1 °C at 760 mmHg |
Flash Point: | 153 °C |
Solubility: | Soluble in water. |
Appearance: | white fluffy needle-like crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 48.12000 |
LogP: | 0.45380 |
1,4,8,11-tetrakis(p-toluenesulphonyl)-1,4,8,11-tetraazacyclotetradecane
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
Stage #1: 1,4,8,11-tetrakis(p-toluenesulphonyl)-1,4,8,11-tetraazacyclotetradecane With sulfuric acid at 100℃; for 48h; Stage #2: With sodium hydroxide In water | 85% |
With sulfuric acid | 81% |
With sulfuric acid at 100 - 105℃; Heating; 50-70 h; | 68% |
With sulfuric acid at 100℃; for 39h; | 63% |
With sulfuric acid at 110℃; for 50h; | 35% |
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
With hydrogenchloride In water at 70℃; for 2h; | 72% |
10b-phenyl-decahydro-3a,5a,8a,10a-tetraaza-pyrene
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
With hydrogenchloride In water at 70℃; for 2h; | 70% |
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 56h; Heating; | 22% |
With lithium aluminium tetrahydride In tetrahydrofuran for 72h; Heating; |
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 20h; Heating; | 18% |
ethanol
ethylenediamine
1,3-dibromo-propane
A
1,4,8,11-Tetraazacyclotetradecane
B
3,7-diazanonane-1,9-diamine
C
N,N'-bis-[3-(2-amino-ethylamino)-propyl]-ethylenediamine
3,7-diazanonane-1,9-diamine
1,3-dibromo-propane
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
With ethanol beim Erhitzen anschliessend mit aethanol. KOH; |
Glyoxal
N,N'-bis(3-aminopropyl)-1,2-diamine
A
1,4,8,11-Tetraazacyclotetradecane
B
2,2'-bi-(1,4,8,11-tetra-azacyclotetradecane)
Conditions | Yield |
---|---|
Yield given. Multistep reaction. Yields of byproduct given; |
tetra(trifluoromethylsulfonyl)-1,4,8,11-tetraazocyclodecane
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
With ammonia; sodium In tetrahydrofuran at -33℃; for 2h; Yield given; |
Glyoxal
N,N'-bis(3-aminopropyl)-1,2-diamine
1,4,8,11-Tetraazacyclotetradecane
Conditions | Yield |
---|---|
With sodium hydroxide; sodium cyanide; nickel; nickel dichloride Yield given. Multistep reaction; |
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The 1,4,8,11-Tetraazacyclotetradecane, with the CAS registry number 295-37-4, is also known as BRN 0111811. It belongs to the product categories of Azacrown Ethers; Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry; Ring Systems. Its EINECS registry number is 206-039-1. This chemical's molecular formula is C10H24N4 and molecular weight is 200.32436. Its IUPAC name is called 1,4,8,11-tetrazacyclotetradecane. This chemical's classification code is Drug / Therapeutic Agent. What's more, this chemical is white fluffy needle-like crystalline powder.
Physical properties of 1,4,8,11-Tetraazacyclotetradecane: (1)ACD/LogP: -0.97; (2)ACD/LogD (pH 5.5): -5.07; (3)ACD/LogD (pH 7.4): -5.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)Index of Refraction: 1.425; (11)Molar Refractivity: 59.5 cm3; (12)Molar Volume: 232.4 cm3; (13)Surface Tension: 27.3 dyne/cm; (14)Density: 0.861 g/cm3; (15)Flash Point: 153 °C; (16)Enthalpy of Vaporization: 56.28 kJ/mol; (17)Boiling Point: 321.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000305 mmHg at 25°C.
Uses of 1,4,8,11-Tetraazacyclotetradecane: it can be used to produce 3-(1,4,8,11-tetraazacyclotetradec-1-yl)propionic acid tetrahydrochloride by heating. This reaction will need reagent LiOH and solvent ethanol, H2O with reaction time of 8 hours. The yield is about 59%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCNCCCNCCNC1
(2)InChI: InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2
(3)InChIKey: MDAXKAUIABOHTD-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 371mg/kg (371mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE | Chemosphere. Vol. 17, Pg. 839, 1988. |