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Basic Information
CAS No.: 525-02-0
Name: 2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethanamine hydrochloride (1:1)
Article Data: 1
Molecular Structure:
Molecular Structure of 525-02-0 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)ethanamine hydrochloride (1:1))
Formula: C19H22N2O•ClH
Molecular Weight: 330.857
Density: g/cm3
Boiling Point: 494.7°Cat760mmHg
Flash Point: 253°C
Safety: Poison by intraperitoneal route. A serotonin antagonist that causes psychotropic effects in humans. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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Chemistry

Molecular Structure of 1-Benzyl-2,5-dimethylserotonin hydrochloride (CAS NO.525-02-0):


IUPAC: 2-(1-Benzyl-5-methoxy-2-methyl-indol-3-yl)ethanamine hydrochloride
Molecular Formula:C19H23ClN2O 
Molecular Weight:330.8517
Melting Point:230-231oC
Flash Point:253oC
Boiling Point:494.7oC at 760 mmHg
SMILES:Cl.O(c1cc2c(cc1)n(c(c2CCN)C)Cc3ccccc3)C 
InChI:InChI=1/C19H22N2O.ClH/c1-14-17(10-11-20)18-12-16(22-2)8-9-19(18)21(14)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3;1H 
InChIKey:HEVSQLIUCMHBPN-UHFFFAOYAM 
Enthalpy of Vaporization:76.21 kJ/mol
Vapour Pressure:6.31E-10 mmHg at 25oC

Toxicity Data With Reference

1.    

ipr-mus LD50:250 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),819.

Safety Profile

Poison by intraperitoneal route. A serotonin antagonist that causes psychotropic effects in humans. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of HCl and NOx.

Specification

 1-Benzyl-2,5-dimethylserotonin hydrochloride with cas registry number of 525-02-0 is also known as 1-Benzyl-2,5-dimethylserotonin hydrochloride ; 1-Benzyl-2-methyl-3-(2-aminoethyl)-5-methoxyindole hydrochloride ; 1-Benzyl-2-methyl-5-methoxytryptamine hydrochloride ; 3-(2-Aminoethyl)-1-benzyl-5-methoxy-2-methylindole hydrochloride ; 5-Methoxy-2-methyl-1-(phenylmethyl)-1H-indole-3-ethanamide monohydrochloride ; BAS ; Benanserin HCl ; Benanserin hydrochloride ; Benzyl antiserotonin ; Benzyl-1 methyl-2 methoxy-5 tryptamine chlorhydrate ; Benzyl-1 methyl-2 methoxy-5 tryptamine chlorhydrate[French] ; NSC 17384 ; Serotonin benzyl analog ; UNII-86Q50C824Z ; Woolley's antiserotonin . It is a drug reproductive effector with the appearance of solid. 1-Benzyl-2,5-dimethylserotonin hydrochloride with cas registry number of 525-02-0 is used as an intermediate in synthesis of many compounds.