- N-(2-Diethylamino)acetylanthranilic acid, ethyl ester, hydrochloride
- N-(2-Diethylamino)acetylanthranilic acid, methyl ester, hydrochloride
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| Name |
N-(2-Diethylamino)acetylanthranilic acid, methyl ester, hydrochloride |
EINECS | N/A |
| CAS No. | 77967-25-0 | Density | N/A |
| PSA | 62.13000 | LogP | 3.20500 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H20N2O3•ClH | Boiling Point | 421.8°C at 760 mmHg |
| Molecular Weight | 300.82 | Flash Point | 208.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal and subcutaneous routes. An eye irritant. See also ESTERS. When heated to decomposition it emits very toxic fumes of HCl and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Anthranilic acid,N-((diethylamino)acetyl)-,methyl ester,hydrochloride;C 3089;methyl 2-[[2-(diethylamino)acetyl]amino]benzoate hydrochloride;N-(2-Diethylamino)acetylanthranilic acid,methyl ester,hydrochloride; |
N-(2-Diethylamino)acetylanthranilic acid, methyl ester, hydrochloride Chemical Properties
IUPAC Name: Methyl 2-[[2-(diethylamino)acetyl]amino]benzoate hydrochloride
Synonyms of N-(2-Diethylamino)acetylanthranilic acid, methyl ester, hydrochloride (CAS NO.77967-25-0): Anthranilic acid, N-((diethylamino)acetyl)-, methyl ester, hydrochloride
InChI: InChI=1/C14H20N2O3.ClH/c1-4-16(5-2)10-13(17)15-12-9-7-6-8-11(12)14(18)19-3;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H
InChIKey: DWKMYDJSDITBKS-UHFFFAOYAV
Std. InChI: InChI=1S/C14H20N2O3.ClH/c1-4-16(5-2)10-13(17)15-12-9-7-6-8-11(12)14(18)19-3;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H
Std. InChIKey: DWKMYDJSDITBKS-UHFFFAOYSA-N
CAS NO: 77967-25-0
Molecular Formula: C14H21ClN2O3
Molecular Weight: 300.7811
Molecular Structure : .png)
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 49.85 Å2
Flash Point: 208.9 °C
Enthalpy of Vaporization: 67.58 kJ/mol
Boiling Point: 421.8 °C at 760 mmHg
Vapour Pressure: 2.54E-07 mmHg at 25°C
N-(2-Diethylamino)acetylanthranilic acid, methyl ester, hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 2400mg/kg (2400mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958. | |
| rat | LD50 | intraperitoneal | 615mg/kg (615mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 270, 1958. |
N-(2-Diethylamino)acetylanthranilic acid, methyl ester, hydrochloride Safety Profile
Moderately toxic by intraperitoneal and subcutaneous routes. An eye irritant. See also ESTERS. When N-(2-Diethylamino)acetylanthranilic acid, methyl ester, hydrochloride (CAS NO.77967-25-0) is heated to decomposition, it emits very toxic fumes of HCl and NOx.
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