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Substance Name: BAPN fumarate
RN: 2079-89-2
UNII: 1O0893POYK
InChIKey: NYMXYZMHOZAPHQ-SEPHDYHBSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C4-H4-O4.2C3-H6-N2

Molecular Weight

  • 256.26
 
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Names and Synonyms

Results Name

  • BAPN fumarate

Name of Substance

  • Bis(3-aminopropiononitrile) fumarate

Synonyms

  • 3-Aminopropionitrile, fumarate
  • BAPN fumarate
  • beta-Aminopropionitrile, fumarate
  • Di-beta-aminopropionitrile fumarate
  • EINECS 218-208-7
  • UNII-1O0893POYK

Systematic Names

  • Bis(3-aminopropiononitrile) fumarate
  • Propanenitrile, 3-amino-, (2E)-2-butenedioate (2:1)
  • Propionitrile, 3-amino-, fumarate (2:1)

Registry Numbers

CAS Registry Number

  • 2079-89-2

FDA UNII

  • 1O0893POYK

Other Registry Numbers

  • 1202867-06-8
  • 1218900-68-5

Related Registry Number

  • 1119-28-4 (Parent)

System Generated Number

  • 0002079892

Molecular Formulas

Molecular Formula

  • C4-H4-O4.2C3-H6-N2

Molecular Formula Fragments

  • C3-H6-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;

InChIKey

NYMXYZMHOZAPHQ-SEPHDYHBSA-N

Smiles

NCCC#N.C(=O)(O)\C=C\C(O)=O.NCCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 oral 5gm/kg (5000mg/kg)   Teratology, The International Journal of Abnormal Development. Vol. 14, Pg. 43, 1976.
mouse LD50 intraperitoneal 5362mg/kg (5362mg/kg)   Experimental and Molecular Pathology. Vol. 39, Pg. 154, 1983.
mouse LD50 skin 23130mg/kg (23130mg/kg)   Experimental and Molecular Pathology. Vol. 39, Pg. 154, 1983.
rat LDLo oral 800mg/kg (800mg/kg)   Teratology, The International Journal of Abnormal Development. Vol. 5, Pg. 33, 1972.