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74764-93-5

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Basic Information
CAS No.: 74764-93-5
Name: N,N-dimethyl-2-[methyl(5-methyl-3-phenyl-1H-indol-1-yl)amino]ethanaminium chloride
Molecular Structure:
Molecular Structure of 74764-93-5 (N,N-dimethyl-2-[methyl(5-methyl-3-phenyl-1H-indol-1-yl)amino]ethanaminium chloride)
Formula: C20H25N3•ClH
Molecular Weight: 343.65
Density: g/cm3
Boiling Point: 456.3°Cat760mmHg
Flash Point: 229.8°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and HCl.
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Chemistry

Molecule structure of N'-(5-Methyl-3-phenyl-1-indolyl)-N,N,N'-trimethylethylenediamine hydrochloride (CAS NO.74764-93-5):

IUPAC Name: Dimethyl-[2-[methyl-(5-methyl-3-phenylindol-1-yl)amino]ethyl]azanium chloride 
Molecular Weight: 343.89354 g/mol
Molecular Formula: C20H26ClN3 
Boiling Point: 456.3 °C at 760 mmHg
Flash Point: 229.8 °C
Enthalpy of Vaporization: 71.62 kJ/mol
Vapour Pressure: 1.64E-08 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 343.181526
MonoIsotopic Mass: 343.181526
Topological Polar Surface Area: 12.6
Heavy Atom Count: 24
Complexity: 364
Canonical SMILES: CC1=CC2=C(C=C1)N(C=C2C3=CC=CC=C3)N(C)CC[NH+](C)C.[Cl-]
InChI: InChI=1S/C20H25N3.ClH/c1-16-10-11-20-18(14-16)19(17-8-6-5-7-9-17)15-23(20)22(4)13-12-21(2)3;/h5-11,14-15H,12-13H2,1-4H3;1H
InChIKey of N'-(5-Methyl-3-phenyl-1-indolyl)-N,N,N'-trimethylethylenediamine hydrochloride (CAS NO.74764-93-5): IBADNQPULBELER-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:2000 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 30 (1980),919.
2.    

orl-mus LD50:1750 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 30 (1980),919.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and HCl.

Specification

 N'-(5-Methyl-3-phenyl-1-indolyl)-N,N,N'-trimethylethylenediamine hydrochloride (CAS NO.74764-93-5) is aslo named as Ethylenediamine, N'-(5-methyl-3-phenyl-1-indolyl)-N,N,N'-trimethyl-, hydrochloride ; N,N,N'-Trimethyl-N'-(5-methyl-3-phenyl-1H-indol-1-yl)-1,2-ethanediamine hydrochloride ; Indole, 1-((2-(dimethylamino)ethyl)methylamino)-5-methyl-3-
phenyl-, hydrochloride .