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Substance Name: Ethyl cyanoacetate
RN: 105-56-6
UNII: X9N006U0F8
InChIKey: ZIUSEGSNTOUIPT-UHFFFAOYSA-N

Note

  • Affect muscarinic and nicotinic receptors.

Molecular Formula

  • C5-H7-N-O2

Molecular Weight

  • 113.1153
 
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Names and Synonyms

Name of Substance

  • Ethyl cyanoacetate

Synonyms

  • 4-02-00-01889 (Beilstein Handbook Reference)
  • Acetic acid, cyano-, ethyl ester
  • AI3-19027
  • BRN 0605871
  • Cyanacetate ethyle
  • Cyanacetate ethyle [German]
  • Cyanoacetic acid ethyl ester
  • Cyanoacetic ester
  • EC 203-309-0
  • EINECS 203-309-0
  • Estere cianoacetico
  • Estere cianoacetico [Italian]
  • Ethyl cyanacetate
  • Ethyl cyanoacetate
  • Ethyl cyanoethanoate
  • Ethylester kyseliny kyanoctove
  • Ethylester kyseliny kyanoctove [Czech]
  • HSDB 2769
  • Malonic acid ethyl ester nitrile
  • NSC 8844
  • UNII-X9N006U0F8
  • USAF KF-25

Systematic Names

  • Acetic acid, 2-cyano-, ethyl ester
  • Acetic acid, cyano-, ethyl ester
  • Ethyl cyanoacetate

Superlist Names

  • Acetic acid, cyano-, ethyl ester
  • Ethyl cyanoacetate
  • Ethyl cyanoacetate [UN2666] [Keep away from food]
  • UN2666

Registry Numbers

CAS Registry Number

  • 105-56-6

FDA UNII

  • X9N006U0F8

Other Registry Number

  • 1427280-50-9

System Generated Number

  • 0000105566

Structure Descriptors

InChI

1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3

InChIKey

ZIUSEGSNTOUIPT-UHFFFAOYSA-N

Smiles

C(CC#N)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 4200mg/kg (4200mg/kg) BEHAVIORAL: TREMOR

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
guinea pig LD50 subcutaneous 1115mg/kg (1115mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Medicina del Lavoro. Industrial Medicine. Vol. 47, Pg. 192, 1956.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LDLo subcutaneous 1410mg/kg (1410mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat LDLo oral 400mg/kg (400mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 921, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.25E+01 deg C   EXP
Boiling Point 210 deg C   EXP
log P (octanol-water) 0.020 (none)   EST
Water Solubility 2.00E+04 mg/L 25 EXP
Vapor Pressure 0.0388 mm Hg 25 EXP
Henry's Law Constant 2.89E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.72E-12 cm3/molecule-sec 25 EST

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