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4425-78-9

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Basic Information
CAS No.: 4425-78-9
Name: 9H-fluoren-9-yl 3-diethylaminopropanoate
Molecular Structure:
Molecular Structure of 4425-78-9 (9H-fluoren-9-yl 3-diethylaminopropanoate)
Formula: C20H23NO2
Molecular Weight: 309.44
Synonyms: Pavatrineat;UNII-23AHS3XR5K;9H-FLUOREN-9-YL 3-DIETHYLAMINOPROPANOATE;Pavatrin;Aminocarbofluorene;Carbofluorene amino ester;
Density: 1.13g/cm3
Boiling Point: 442.6°Cat760mmHg
Flash Point: 147.6°C
Safety: Poison by intravenous routes. Moderately toxic by ingestion. See also AMINES and ESTERS. When heated to decomposition it emits toxic fumes of NOx.
PSA: 29.54000
LogP: 4.03150
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  • 9H-fluoren-9-yl 3-(diethylamino)propanoate

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    9H-fluoren-9-yl 3-(diethylamino)propanoate

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Chemistry

IUPAC Name: 9H-Fluoren-9-yl 3-(diethylamino)propanoate
Following is the structure of Carbofluorene amino ester (CAS NO.4425-78-9):
                
Empirical Formula: C20H23NO2
Molecular Weight: 309.4021 g/mol 
Density: 1.13 g/cm3
Flash Point: 147.6 °C
Index of Refraction: 1.594
Surface Tension: 47.9 dyne/cm
Enthalpy of Vaporization: 70.02 kJ/mol
Boiling Point: 442.6 °C at 760 mmHg
Vapour Pressure: 4.94E-08 mmHg at 25 °C 
Canonical SMILES: CCN(CC)CCC(=O)OC1C2=CC=CC=C2C3=CC=CC=C13
InChI: InChI=1S/C20H23NO2/c1-3-21(4-2)14-13-19(22)23-20-17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,20H,3-4,13-14H2,1-2H3
InChIKey: KDMXJWAQUFIBIR-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:900 mg/kg

     CLDND*    Compilation of LD50 Values of New Drugs. 91 (1947),103.
2.    

ivn-rbt LD50:16 mg/kg

     CLDND*    Compilation of LD50 Values of New Drugs. 91 (1947),103.

Safety Profile

Poison by intravenous routes. Moderately toxic by ingestion. See also AMINES and ESTERS. When heated to decomposition, Carbofluorene amino ester (CAS NO.4425-78-9) emits toxic fumes of NOx.

Specification

 Carbofluorene amino ester , its cas register number is 4425-78-9. It also can be called Aminocarbofluorene ; Carbofluorene amino ester ; Pavatrin ; and Pavatrineat . Its classification code is Drug / Therapeutic Agent.