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| Name |
5-(Hydroxyacetyl)indole |
EINECS | N/A |
| CAS No. | 38693-06-0 | Density | 1.338g/cm3 |
| PSA | 53.09000 | LogP | 1.34290 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H9NO2 | Boiling Point | 399.1°C at 760 mmHg |
| Molecular Weight | 175.20 | Flash Point | 195.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-hydroxy-1-indol-5-yl-ethanone;5-Hydroxyacetyl-indol;KETONE,HYDROXYMETHYL 5-INDOLYL; |
5-(Hydroxyacetyl)indole Chemical Properties
Product Name: 5-(Hydroxyacetyl)indole (CAS NO.38693-06-0)
Molecular Formula: C10H9NO2
Molecular Weight: 175.184g/mol
Mol File: 38693-06-0.mol
Boiling point: 399.1 °C at 760 mmHg
Flash Point: 195.2 °C
Density: 1.338 g/cm3
Surface Tension: 65.6 dyne/cm
Enthalpy of Vaporization: 68.52 kJ/mol
Vapour Pressure: 4.38E-07 mmHg at 25°C
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 2
IUPAC Name: 2-hydroxy-1-(1H-indol-5-yl)ethanone
Canonical SMILES: C1=CC2=C(C=CN2)C=C1C(=O)CO
InChI: InChI=1S/C10H9NO2/c12-6-10(13)8-1-2-9-7(5-8)3-4-11-9/h1-5,11-12H,6H2
InChIKey: KOMURGMEAMZZIX-UHFFFAOYSA-N
5-(Hydroxyacetyl)indole Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 600mg/kg (600mg/kg) | AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Pharmaceutical Chemistry Journal Vol. 6, Pg. 33, 1972. |
5-(Hydroxyacetyl)indole Safety Profile
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
5-(Hydroxyacetyl)indole Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
5-(Hydroxyacetyl)indole Specification
5-(Hydroxyacetyl)indole ,its CAS NO. is 38693-06-0,the synonyms is 5-21-12-00357 (Beilstein Handbook Reference) ; BRN 1453255 ; Ketone, hydroxymethyl 5-indolyl .
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