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| CAS No.: | 78329-97-2 |
|---|---|
| Name: | ethyl 3-[(diethylamino)methyl]-4-hydroxybenzoate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C14H21NO3 |
| Molecular Weight: | 251.326 |
| Density: | 1.083g/cm3 |
| Boiling Point: | 359.3°C at 760 mmHg |
| Flash Point: | 171.1°C |
| Safety: | Poison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS. |
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Chemistry
IUPAC Name: ethyl 3-(diethylaminomethyl)-4-hydroxybenzoate
Empirical Formula: C14H21NO3
Molecular Weight: 251.3214g/mol
Index of Refraction: 1.53
Molar Refractivity: 71.7 cm3
Molar Volume: 231.8 cm3
Polarizability: 28.42×10-24cm3
Surface Tension: 41.5 dyne/cm
Density: 1.083 g/cm3
Flash Point: 171.1 °C
Enthalpy of Vaporization: 62.88 kJ/mol
Boiling Point: 359.3 °C at 760 mmHg
Vapour Pressure: 1.16E-05 mmHg at 25°C
Canonical SMILES: CCN(CC)CC1=C(C=CC(=C1)C(=O)OCC)O
InChI: InChI=1S/C14H21NO3/c1-4-15(5-2)10-12-9-11(7-8-13(12)16)14(17)18-6-3/h7-9,16H,4-6,10H2,1-3H3
InChIKey: RCFIXNWIGMZKKS-UHFFFAOYSA-N
Structure of Ethyl 3-((diethylamino)methyl)-4-hydroxybenzoate (CAS NO.78329-97-2):
.bmp)
Toxicity Data With Reference
| 1. | orl-mus LDLo:1000 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 11 (1961),85. | ||
| 2. | scu-mus LDLo:375 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 11 (1961),85. |
Safety Profile
Poison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
Specification
Ethyl 3-((diethylamino)methyl)-4-hydroxybenzoate , its cas register number is 78329-97-2. It also can be called 3-((Diethylamino)methyl)-4-hydroxybenzoic acid ethyl ester ; BRN 3034053 . When Ethyl 3-((diethylamino)methyl)-4-hydroxybenzoate (CAS NO.78329-97-2) is heated to decomposition, it emits toxic fumes of NOx.