-
Name
N,N-dimethyl-1-[2-(phenylacetyl)-1H-pyrrol-1-yl]propan-2-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
- EINECS
- CAS No. 7083-24-1
- Density g/cm3
- Solubility
- Melting Point
- Formula C17H22N2O•C6H8O7
- Boiling Point 397.1°Cat760mmHg
- Molecular Weight 462.55
- Flash Point 194°C
- Transport Information
- Appearance
- Safety A poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone Chemical Properties
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:
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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°
Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone 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. |
Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone Safety Profile
A poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
Benzyl 1-(2-(dimethylamino)propyl)-pyrrol-2-yl, citrate ketone Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
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