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| CAS No.: | 302-66-9 |
|---|---|
| Name: | 1-ethyl-1-methylprop-2-ynyl carbamate |
| Molecular Structure: | |
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| Formula: | C7H11 N O2 |
| Molecular Weight: | 141.17 |
| Synonyms: | 1-Pentyn-3-ol,3-methyl-, carbamate (8CI,9CI); Carbamic acid, 1-ethyl-1-methyl-2-propynylester (6CI,7CI); N-Oblivon (6CI); 1-Ethyl-1-methyl-2-propynyl carbamate;3-Carbamoyloxy-3-methyl-4-pentyne; 3-Methyl-1-pentyn-3-ol carbamate;3-Methyl-1-pentyn-3-yl carbamate; 3-Methyl-3-(carbamyloxy)-4-pentyne;3-Methyl-3-carbamyloxy-1-pentyne; Anansiol; Meparfynol carbamate; Mepentamate;Methylparafynol carbamate; Methylpentynol carbamate; Oblivon C; Oblivon N;Placidal; Trusono |
| Density: | 1.045g/cm3 |
| Melting Point: | 55.8-57° (McLamore); mp 53.5-55° (McCrea) |
| Boiling Point: | 237.5°Cat760mmHg |
| Flash Point: | 105.1°C |
| Safety: | Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. A sedative and tranquilizer which can cause central nervous system depression and death by overdose. Toxic effects are enhanced with the use of alcohol and barbiturates. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES. |
| PSA: | 53.31000 |
| LogP: | 1.39740 |
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Chemistry
Molecule structure of Methylpentynol carbamate (CAS NO.302-66-9):
IUPAC Name: 3-Methylpent-1-yn-3-yl carbamate
Molecular Weight: 141.16774 g/mol
Molecular Formula: C7H11NO2
Density: 1.045 g/cm3
Boiling Point: 237.5 °C at 760 mmHg
Flash Point: 105.1 °C
Index of Refraction: 1.468
Molar Refractivity: 37.58 cm3
Molar Volume: 135 cm3
Polarizability: 14.89×10-24 cm3
Surface Tension: 39.4 dyne/cm
Enthalpy of Vaporization: 47.43 kJ/mol
Vapour Pressure: 0.0447 mmHg at 25 °C
Water Solubility: 1.60E+04 mg/L
XLogP3: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 141.078979
MonoIsotopic Mass: 141.078979
Topological Polar Surface Area: 52.3
Heavy Atom Count: 10
Complexity: 179
Canonical SMILES: CCC(C)(C#C)OC(=O)N
InChI: InChI=1S/C7H11NO2/c1-4-7(3,5-2)10-6(8)9/h1H,5H2,2-3H3,(H2,8,9)
InChIKey: GXCDLJXPZVCHBX-UHFFFAOYSA-N
EINECS of Methylpentynol carbamate (CAS NO.302-66-9): 206-125-9
Toxicity Data With Reference
| 1. | orl-mus LD50:337 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 10 (1958),315. | ||
| 2. | ipr-mus LD50:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. AD277-689 . | ||
| 3. | scu-mus LD50:450 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 5 (1955),161. |
Safety Profile
Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. A sedative and tranquilizer which can cause central nervous system depression and death by overdose. Toxic effects are enhanced with the use of alcohol and barbiturates. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
Specification
Methylpentynol carbamate (CAS NO.302-66-9) is also named as 1-Ethyl-1-methyl-2-propynyl carbamate ; 2-Ethynyl-2-butyl carbamate ; 3-Carbamoyloxy-3-methyl-4-pentyne ; 3-Methyl-1-pentyn-3-ol carbamate ; 3-Methyl-3-(carbamyloxy)-4-pentyne ; 3-Methyl-3-carbamyloxy-1-pentyne ; 4-03-00-00065 (Beilstein Handbook Reference) ; Anansiol ; BRN 1762311 ; Calminol ; Carbamate de methylpentinol ; Carbamate de methylpentinol [French] ; Carbamic acid, 2-ethynyl-2-butyl ester ; Formarin ; Meparfynol carbamate ; Mepentamate ; Mepentamato ; Methylparafynol carbamate ; N Oblivon ; Oblivon C ; Oblivon N ; Olosed ; Ovetten ; Pentin C ; Placidal ; Psicosedina ; USAF EL-108 ; Vereden .