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Substance Name: 2-Amino-1,1,3-tricyanopropene
RN: 868-54-2
UNII: OC6G895YHN
InChIKey: BNHGNFYPZNDLAF-UHFFFAOYSA-N

Note

  • Has antithyroid activity; inhibits conversion of monoiodotyrosine to diiodotyrosine.

Molecular Formula

  • C6-H4-N4

Molecular Weight

  • 132.126
 
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Names and Synonyms

Name of Substance

  • 2-Amino-1,1,3-tricyanopropene
  • Malononitrile dimer

Synonyms

  • (1-Amino-2-cyanoethylidene)malononitrile
  • 1,1,3-Prop-1-enetricarbonitrile, 2-amino-
  • 1,1,3-Tricyano-2-amino-1-propene
  • 1,1,3-Tricyano-2-aminopropene
  • 2-Amino-1,1,3-prop-1-enecarbonitrile
  • 2-Amino-1,1,3-tricyanopropene
  • 2-Amino-1-propene-1,1,3-tricapbonitrile
  • 2-Amino-1-propene-1,1,3-tricarbonitrile
  • 4-04-00-03109 (Beilstein Handbook Reference)
  • BRN 1756131
  • EINECS 212-777-5
  • Malononitrile dimer
  • NSC 77901
  • PROPENE-1,1,3-TRICARBONITRILE, 2-AMINO
  • TCAP (VAN)
  • U 9189
  • UNII-OC6G895YHN
  • Upjohn 9189

Systematic Names

  • 1-Propene-1,1,3-tricarbonitrile, 2-amino-
  • 3-Aminoprop-1-ene-1,1,3-tricarbonitrile

Registry Numbers

CAS Registry Number

  • 868-54-2

FDA UNII

  • OC6G895YHN

System Generated Number

  • 0000868542

Structure Descriptors

InChI

1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2

InChIKey

BNHGNFYPZNDLAF-UHFFFAOYSA-N

Smiles

C(\C#N)(C#N)=C(\CC#N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01433,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170-173 deg C   EXP
log P (octanol-water) -0.13 (none)   EXP
Water Solubility 6.44E+05 mg/L 25 EST
Vapor Pressure 4.41E-05 mm Hg 25 EST
Henry's Law Constant 4.29E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.02E-12 cm3/molecule-sec 25 EST

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