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Basic Information
CAS No.: 63906-35-4
Name: 2-[(1H-indol-3-ylacetyl)oxy]-N,N-dimethylethanaminium chloride
Molecular Structure:
Molecular Structure of 63906-35-4 (2-[(1H-indol-3-ylacetyl)oxy]-N,N-dimethylethanaminium chloride)
Formula: C14H18 N2 O2 . Cl H
Molecular Weight: 282.77
Synonyms: 1H-Indole-3-aceticacid, 2-(dimethylamino)ethyl ester, monohydrochloride (9CI)
Boiling Point: 406.3°C at 760 mmHg
Flash Point: 199.5°C
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and HCl.
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Chemistry

Product Name: 2-Dimethylaminoethyl (1H-indol-3-yl)acetate hydrochloride (CAS NO.63906-35-4)


Molecular Formula: C14H18N2O2•ClH
Molecular Weight: 282.80g/mol
Mol File: 63906-35-4.mol
Boiling point: 406.3 °C at 760 mmHg
Flash Point: 199.5 °C
Enthalpy of Vaporization: 65.8 kJ/mol
Vapour Pressure: 8.24E-07 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 2-[2-(1H-indol-3-yl)acetyl]oxyethyl-dimethylazanium chloride
Canonical SMILES: C[NH+](C)CCOC(=O)CC1=CNC2=CC=CC=C21.[Cl-]
InChI: InChI=1S/C14H18N2O2.ClH/c1-16(2)7-8-18-14(17)9-11-10-15-13-6-4-3-5-12
(11)13;/h3-6,10,15H,7-9H2,1-2H3;1H 
InChIKey: HEUYKGNOPUJGSK-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 153, Pg. 1914, 1959.

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and HCl.

Specification

 2-Dimethylaminoethyl (1H-indol-3-yl)acetate hydrochloride ,its CAS NO. is 63906-35-4,the synonyms is Acetic acid, (1H-indol-3-yl)-, 2-dimethylaminoethyl ester, hydrochloride ; CID45140 ; LS-12274 .