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Substance Name: Butanoic acid, 4-(diethylamino)-4-oxo-, propyl ester (9CI)
RN: 5834-84-4
InChIKey: UZCDZCKZKAMXMC-UHFFFAOYSA-N

Molecular Formula

  • C11-H21-N-O3

Molecular Weight

  • 215.291
 
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Names and Synonyms

Synonyms

  • 4-04-00-00362 (Beilstein Handbook Reference)
  • BRN 1786368
  • NSC 5677
  • Propyl N,N-diethylsuccinamate
  • Propyl-N,N-diethylsuccinamate

Systematic Names

  • Butanoic acid, 4-(diethylamino)-4-oxo-, propyl ester (9CI)
  • Succinamic acid, N,N-diethyl-, propyl ester

Registry Numbers

CAS Registry Number

  • 5834-84-4

System Generated Number

  • 0005834844

Structure Descriptors

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

Smiles

O=C(N(CC)CC)CCC(=O)OCCC

Toxicity

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.510 (none)   EST
Water Solubility 5.20E+04 mg/L 35 EXP
Atmospheric OH Rate Constant 2.81E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.