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| CAS No.: | 7210-92-6 |
|---|---|
| Name: | methyl 2-[[(diethylamino)acetyl]amino]-3-methylbenzoate monohydrochloride |
| Molecular Structure: | |
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| Formula: | C15H22 N2 O3 . Cl H |
| Molecular Weight: | 314.85 |
| Synonyms: | Benzoicacid, 2-[[(diethylamino)acetyl]amino]-3-methyl-, methyl ester,monohydrochloride (9CI); m-Toluic acid, 2-[2-(diethylamino)acetamido]-, methylester, monohydrochloride (6CI,7CI,8CI); Baycain; Baycaine; Bluecain; Tolycainehydrochloride |
| Boiling Point: | 422°C at 760 mmHg |
| Flash Point: | 209°C |
| Safety: | Poison by intravenous route. Moderately toxic by other routes. When heated to decomposition it emits toxic fumes of NOx and HCl. |
| PSA: | 62.13000 |
| LogP: | 3.51340 |
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Chemistry
Molecule structure of Bluecain (CAS NO.7210-92-6):
IUPAC Name: methyl 2-[[2-(diethylamino)acetyl]amino]-3-methylbenzoate hydrochloride
Molecular Weight: 314.80772 g/mol
Molecular Formula: C15H23ClN2O3
Boiling Point: 422 °C at 760 mmHg
Flash Point: 209 °C
Enthalpy of Vaporization: 67.61 kJ/mol
Vapour Pressure: 2.5E-07 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Tautomer Count: 3
Exact Mass: 314.13972
MonoIsotopic Mass: 314.13972
Topological Polar Surface Area: 58.6
Heavy Atom Count: 21
Complexity: 329
Canonical SMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C(=O)OC.Cl
InChI: InChI=1S/C15H22N2O3.ClH/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4;/h7-9H,5-6,10H2,1-4H3,(H,16,18);1H
InChIKey: LIWOWASNSWUKPF-UHFFFAOYSA-N
EINECS: 230-590-7
Toxicity Data With Reference
| 1. | ivn-rat LD50:44 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),570. | ||
| 2. | scu-mus LD50:450 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),570. | ||
| 3. | ivn-mus LD50:60 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),570. | ||
| 4. | ivn-rbt LD50:40 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),570. |
Safety Profile
Poison by intravenous route. Moderately toxic by other routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
Specification
Bluecain (CAS NO.7210-92-6) is also called 2-(2-(Diethylamino)acetamido)-m-toluic acid methyl ester monohydrochloride ; Bajkain ; Baycain ; Baycaine ; Baycalne ; Benzoic acid, 2-(((diethylamino)acetyl)amino)-3-methyl-, methyl ester, monohydrochloride ; Tolycaine HCl ; Tolycaine hydrochloride . Bluecain (CAS NO.7210-92-6) is toxic. It will produce toxic nitrogen oxides and hydrochloric acid gas by heat. So the storage environment should be ventilate, low-temperature and dry.