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| CAS No.: | 63982-49-0 |
|---|---|
| Name: | N,N,2,4-tetramethyl-5-[(methylcarbamoyl)oxy]anilinium chloride |
| Molecular Structure: | |
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| Formula: | C12H18 N2 O2 . Cl H |
| Molecular Weight: | 258.78 |
| Density: | g/cm3 |
| Boiling Point: | 338.2°Cat760mmHg |
| Flash Point: | 158.3°C |
| Safety: | Poison by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also CARBAMATES and ESTERS. |
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Chemistry
Molecule structure of Methylcarbamic acid-5-dimethylamino-2,4-xylyl ester, hydrochloride (CAS NO.63982-49-0) :
IUPAC Name: [2,4-dimethyl-5-(methylcarbamoyloxy)phenyl]-dimethylazanium chloride
Molecular Weight: 258.74446 g/mol
Molecular Formula: C12H19ClN2O2
Boiling Point: 338.2 °C at 760 mmHg
Flash Point: 158.3 °C
Enthalpy of Vaporization: 58.15 kJ/mol
Vapour Pressure: 9.98E-05 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 258.113506
MonoIsotopic Mass: 258.113506
Topological Polar Surface Area: 42.8
Heavy Atom Count: 17
Complexity: 243
Canonical SMILES: CC1=CC(=C(C=C1[NH+](C)C)OC(=O)NC)C.[Cl-]
InChI: InChI=1S/C12H18N2O2.ClH/c1-8-6-9(2)11(16-12(15)13-3)7-10(8)14(4)5;/h6-7H,1-5H3,(H,13,15);1H
InChIKey of Methylcarbamic acid-5-dimethylamino-2,4-xylyl ester, hydrochloride (CAS NO.63982-49-0) : RWIRQGSIAZKBNL-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:50 mg/kg | JCSOA9 Journal of the Chemical Society .(London, England.: )1947,182. | ||
| 2. | scu-mus LD50:10 mg/kg | JCSOA9 Journal of the Chemical Society .(London, England.: )1947,182. |
Safety Profile
Poison by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also CARBAMATES and ESTERS.
Specification
Methylcarbamic acid-5-dimethylamino-2,4-xylyl ester, hydrochloride (CAS NO.63982-49-0) is also called Carbamic acid, N-methyl-, 2,4-dimethyl-5-dimethylaminophenyl ester, hydrochloride ; N-Methylurethane of hydrochloride of 6-dimethylamino-o-4-xylenol ; T-1770 ; Carbamic acid, methyl-, 5-dimethylamino-2,4-xylyl ester, hydrochloride .