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| Name |
Ethinamate |
EINECS | N/A |
| CAS No. | 126-52-3 | Density | 1.1g/cm3 |
| PSA | 52.32000 | LogP | 2.11810 |
| Solubility | N/A | Melting Point |
96-98° |
| Formula | C9H13 N O2 | Boiling Point | 282°Cat760mmHg |
| Molecular Weight | 167.208 | Flash Point | 131°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A deadly human poison. Experimental poison by ingestion, intravenous, subcutaneous, and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES. | Risk Codes | 23/24/25 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Carbamicacid, 1-ethynylcyclohexyl ester (6CI); Cyclohexanol, 1-ethynyl-, carbamate(8CI,9CI); 1-Ethinylcyclohexyl carbamate; 1-Ethynylcyclohexanol carbamate;1-Ethynylcyclohexyl carbamate; Ethinamate; NSC 11538; NSC 30282; NSC 31618; NSC524623; Valamin; Valmid; Valmidate; Volamin |
Article Data | 3 |
Ethinamate Chemical Properties
Molecule structure of Ethinamate (CAS NO.126-52-3) :
.gif)
IUPAC Name: (1-ethynylcyclohexyl) carbamate
Molecular Weight: 167.20502 g/mol
Molecular Formula: C9H13NO2
Density: 1.1 g/cm3
Boiling Point: 282 °C at 760 mmHg
Flash Point: 131 °C
Index of Refraction: 1.506
Molar Refractivity: 44.96 cm3
Molar Volume: 151.3 cm3
Polarizability: 17.82×10-24 cm3
Surface Tension: 44.9 dyne/cm
Enthalpy of Vaporization: 52.08 kJ/mol
Vapour Pressure: 0.00345 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 167.094629
MonoIsotopic Mass: 167.094629
Topological Polar Surface Area: 52.3
Heavy Atom Count: 12
Complexity: 220
Canonical SMILES: C#CC1(CCCCC1)OC(=O)N
InChI: InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
InChIKey: GXRZIMHKGDIBEW-UHFFFAOYSA-N
EINECS: 204-789-4
Ethinamate Uses
Ethinamate (CAS NO.126-52-3) is used to treat insomnia. Regular use leads to drug tolerance, and it is usually not effective for more than 7 days. Prolonged use can lead to dependency. Ethinamate has been replaced by other medicines (particularly benzodiazepines, and it is not available in the Netherlands, the United States or Canada.
Ethinamate Toxicity Data With Reference
| 1. | orl-hmn LDLo:57 mg/kg | TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 7 (1960),513. | ||
| 2. | orl-rat LD50:331 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),40. | ||
| 3. | scu-rat LD50:390 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),477. | ||
| 4. | ivn-rat LD50:157 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),40. | ||
| 5. | orl-mus LD50:490 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),40. | ||
| 6. | ipr-mus LD50:300 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . | ||
| 7. | ivn-mus LD50:108 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),40. | ||
| 8. | orl-dog LD50:190 mg/kg | DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),111. |
Ethinamate Consensus Reports
Reported in EPA TSCA Inventory.
Ethinamate Safety Profile
A deadly human poison. Experimental poison by ingestion, intravenous, subcutaneous, and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
Hazard Codes: 
T
Risk Statements: 23/24/25
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36/37/39-45
S22:Do not breathe dust.
S37/39:Wear suitable gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RTECS: GV9275000
Ethinamate Specification
Ethinamate (CAS NO.126-52-3) is also called 1-Ethinylcyclohexyl carbamate ; 1-Ethinylcyclohexyl carbonate ; 1-Ethynylcyclohexanol carbamate ; 1-Ethynylcyclohexyl carbamate ; 4-06-00-00349 (Beilstein Handbook Reference) ; Aethinyl-cyclohexyl-carbamat ; BRN 1946056 ; Carbamate de l'ethinylcyclohexanol ; Carbamic acid, 1-ethynylcyclohexyl ester ; Cyclohexanol, 1-ethynyl-, carbamate ; Ethinamat ; Ethinamatum ; Ethynylcyclohexyl carbamate ; Etinamato ; Etinamato [INN-Spanish] ; HSDB 3325 ; NSC 11538 ; UNII-IAN371PP48 ; USAF EL-42 ; Valamin ; Valamina ; Valaminetta ; Valaminettae ; Valaminetten ; Valmid ; Valmidate ; Volamin .