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7083-24-1

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Basic Information
CAS No.: 7083-24-1
Name: N,N-dimethyl-1-[2-(phenylacetyl)-1H-pyrrol-1-yl]propan-2-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
Molecular Structure:
Molecular Structure of 7083-24-1 (N,N-dimethyl-1-[2-(phenylacetyl)-1H-pyrrol-1-yl]propan-2-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate)
Formula: C17H22N2O•C6H8O7
Molecular Weight: 462.55
Density: g/cm3
Boiling Point: 397.1°Cat760mmHg
Flash Point: 194°C
Safety: A poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
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  • Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone

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    Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone

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Chemistry

IUPAC Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; dimethyl-[1-[2-(2-phenylacetyl)pyrrol-1-yl]propan-2-yl]azanium 
Synonyms of Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone (CAS NO.7083-24-1): 1-(2-(Dimethylamino)propyl)-2-(phenylacetyl)pyrrole citrate ;  Ketone, benzyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate
CAS NO: 7083-24-1 
Molecular Formula of Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone (CAS NO.7083-24-1): C23H30N2O8
Molecular Weight: 462.4929
Molecular Structure:

H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 22 Å2
Flash Point of Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone (CAS NO.7083-24-1): 194 °C
Enthalpy of Vaporization: 64.75 kJ/mol
Boiling Point: 397.1 °C at 760 mmHg
Vapour Pressure: 1.63E-06 mmHg at 25°

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Chimica Therapeutica. Vol. 1, Pg. 127, 1966.

Safety Profile

A poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid