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5834-84-4

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Basic Information
CAS No.: 5834-84-4
Name: propyl 4-(diethylamino)-4-oxobutanoate
Molecular Structure:
Molecular Structure of 5834-84-4 (propyl 4-(diethylamino)-4-oxobutanoate)
Formula: C11H21NO3
Molecular Weight: 215.33
Density: 0.987g/cm3
Boiling Point: 312.5°Cat760mmHg
Flash Point: 142.8°C
Safety: A poison by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.
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    Propyl-N,N-diethylsuccinamate

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Chemistry

Product Name: Propyl-N,N-diethylsuccinamate (CAS NO.5834-84-4)


Molecular Formula: C11H21NO3
Molecular Weight: 215.33g/mol
Mol File: 5834-84-4.mol
Boiling point: 312.5 °C at 760 mmHg
Flash Point: 142.8 °C
Density: 0.987 g/cm3
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 55.35 kJ/mol
Vapour Pressure:  0.000528 mmHg at 25°C 
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Propyl-N,N-diethylsuccinamate (CAS NO.5834-84-4):
  IUPAC Name: propyl 4-(diethylamino)-4-oxobutanoate
  Canonical SMILES: CCCOC(=O)CCC(=O)N(CC)CC
  InChI: InChI=1S/C11H21NO3/c1-4-9-15-11(14)8-7-10(13)12(5-2)6-3/h4-9H2,1-3H3 
  InChIKey: UZCDZCKZKAMXMC-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 12930uL/kg (12.93mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Safety Profile

A poison by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Propyl-N,N-diethylsuccinamate ,its CAS NO. is 5834-84-4,the synonyms is 4-04-00-00362 (Beilstein Handbook Reference) ; BRN 1786368 ; NSC 5677 ; Butanoic acid, 4-(diethylamino)-4-oxo-, propyl ester (9CI) ; Succinamic acid, N,N-diethyl-, propyl ester .