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CAS No.: | 126-52-3 |
---|---|
Name: | ETHINAMATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H13 N O2 |
Molecular Weight: | 167.208 |
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 |
Density: | 1.1g/cm3 |
Melting Point: | 96-98° |
Boiling Point: | 282°Cat760mmHg |
Flash Point: | 131°C |
Hazard Symbols: | |
Risk Codes: | 23/24/25 |
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. |
PSA: | 52.32000 |
LogP: | 2.11810 |
Molecule structure of Ethinamate (CAS NO.126-52-3) :
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 (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 Ethinamate has been replaced by other medicines (particularly benzodiazepines, and it is not available in the Netherlands, the United States or Canada.
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. |
Reported in EPA TSCA Inventory.
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 (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 .