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60254-66-2

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Basic Information
CAS No.: 60254-66-2
Name: heptyl (diethylamino)(oxo)acetate
Molecular Structure:
Molecular Structure of 60254-66-2 (heptyl (diethylamino)(oxo)acetate)
Formula: C13H25NO3
Molecular Weight: 243.39
Density: 0.969g/cm3
Boiling Point: 310.5°C at 760 mmHg
Flash Point: 141.6°C
Safety: Low toxicity by ingestion and skin contact. ingestion. When heated to decomposition it emits toxic vapors of NOx.
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Chemistry

Product Name: Heptyl N,N-diethyloxamate (CAS NO.60254-66-2)


Molecular Formula: C13H25NO3
Molecular Weight: 243.39g/mol
Mol File: 60254-66-2.mol
Boiling point: 310.5 °C at 760 mmHg
Flash Point: 141.6 °C
Density: 0.969 g/cm3
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 55.13 kJ/mol
Vapour Pressure: 0.000599 mmHg at 25°C
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Heptyl N,N-diethyloxamate (CAS NO.60254-66-2):
  IUPAC Name: heptyl 2-(diethylamino)-2-oxoacetate
  Canonical SMILES: CCCCCCCOC(=O)C(=O)N(CC)CC
  InChI: InChI=1S/C13H25NO3/c1-4-7-8-9-10-11-17-13(16)12(15)14(5-2)6-3/h4-11H2,1-3H3 
  InChIKey: CSBKKQVPRRRVQQ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 23gm/kg (23000mg/kg)   Veterinariya. Veterinary Science. Vol. 52(5), Pg. 42, 1975.

Safety Profile

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

Specification

 Heptyl N,N-diethyloxamate , its CAS NO. is 60254-66-2, the synonyms are Heptyl (diethylamino)oxoacetate ; Acetic acid, (diethylamino)oxo-, heptyl ester .