Basic information
- Name:
1H-Indole-3-carboxylicacid, 5-hydroxy-1,2-dimethyl-, ethyl ester
- Superlist Name:
- Mecarbinate
- CAS No.:
15574-49-9
- Molecular Structure:
- Formula:
- C13H15NO3
- Molecular Weight:
- 233.26
- Synonyms:
- Indole-3-carboxylicacid, 5-hydroxy-1,2-dimethyl-, ethyl ester (6CI,7CI,8CI);1,2-Dimethyl-3-carbethoxy-5-hydroxyindole;3-(Ethoxycarbonyl)-5-hydroxy-1,2-dimethylindole;Ba 2676;Dimecarbin;Dimecarbine;Dimekarbin;Ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate;
- Density:
- 1.2 g/cm3
- Boiling Point:
- 399.8 °C at 760 mmHg
- Flash Point:
- 195.6 °C
- Hazard Symbols:
Xi
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Chemistry
IUPAC Name: ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate
Synonyms of 1H-Indole-3-carboxylicacid, 5-hydroxy-1,2-dimethyl-, ethyl ester (CAS NO.15574-49-9): Mecarbinate [INN] ; 4-22-00-02229 (Beilstein Handbook Reference) ; 5-Hydroxy-1,2-dimethylindol-3-carbonsaeureethylester ; BA 2676 ; BRN 0193275 ; Dimecarbin ; Dimecarbine ; Dimekarbin ; Ethyl 5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate ; Mecarbinate ; Mecarbinato ; Mecarbinato [INN-Spanish] ; Mecarbinatum ; Mecarbinatum [INN-Latin] ; UNII-Z927X3UJ2W ; 1,2-Dimethyl-3-carbethoxy- 5-hydroxyindole ; Ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate
CAS NO: 15574-49-9
Classification Code: Drug / Therapeutic Agent
Molecular Formula of 1H-Indole-3-carboxylicacid, 5-hydroxy-1,2-dimethyl-, ethyl ester (CAS NO.15574-49-9): C13H15NO3
Molecular Weight: 233.2631
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 40.46 Å2
Index of Refraction: 1.571
Molar Refractivity: 63.85 cm3
Molar Volume: 194.1 cm3
Surface Tension: 40.1 dyne/cm
Density of 1H-Indole-3-carboxylicacid, 5-hydroxy-1,2-dimethyl-, ethyl ester (CAS NO.15574-49-9): 1.2 g/cm3
Flash Point: 195.6 °C
Enthalpy of Vaporization: 67.6 kJ/mol
Boiling Point: 399.8 °C at 760 mmHg
Vapour Pressure: 5.77E-07 mmHg at 25°C
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 10gm/kg (10000mg/kg) | Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994. | |
| mouse | LD | oral | > 10gm/kg (10000mg/kg) | Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994. | |
| rat | LD | oral | > 10gm/kg (10000mg/kg) | Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994. |
Safety Profile
Hazard Codes: 
Xi
HazardClass: IRRITANT
