Basic information
- Name:
1,4,8,11-Tetraazacyclotetradecane
- CAS No.:
295-37-4
- Molecular Structure:
- Formula:
- C10H24N4
- Molecular Weight:
- 200.32
- 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
- Appearance:
- white fluffy needle-like crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
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%.
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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. |
