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Substance Name: Butanoic acid, 4-(diethylamino)-4-oxo- (9CI)
RN: 1522-00-5
InChIKey: XILORGWKMLOGKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H15-N-O3

Molecular Weight

  • 173.21
 
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Names and Synonyms

Synonyms

  • 4-(Diethylamino)-4-oxobutanoic acid
  • 4-04-00-00361 (Beilstein Handbook Reference)
  • AI3-06303
  • BRN 1772287
  • Mg 164
  • Monodietilamide dell'acido succinico
  • Monodietilamide dell'acido succinico [Italian]
  • N,N-Diethylsuccinamic acid
  • N,N-Diethylsuccinic acid monoamide
  • NSC 526

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 1522-00-5

System Generated Number

  • 0001522005

Structure Descriptors

InChI

1S/C8H15NO3/c1-3-9(4-2)7(10)5-6-8(11)12/h3-6H2,1-2H3,(H,11,12)

InChIKey

XILORGWKMLOGKF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 2gm/kg (2000mg/kg)   Farmaco. Scienza e Tecnica. Vol. 6, Pg. 807, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.240 (none)   EST
Water Solubility 2.79E+04 mg/L 25 EXP
Vapor Pressure 1.25E-04 mm Hg 25 EST
Henry's Law Constant 9.38E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.71E-11 cm3/molecule-sec 25 EST

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