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Substance Name: 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)
RN: 151868-67-6
InChIKey: VOWRHDFINBRACB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H9-N3.H3-O4-P

Molecular Weight

  • 221.1518
 
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Names and Synonyms

Synonym

  • 2-Imino-1-pyrrolidineacetonitrile phosphate (1:1)

Systematic Name

  • 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 151868-67-6

System Generated Number

  • 0151868676

Molecular Formulas

Molecular Formula

  • C6-H9-N3.H3-O4-P

Molecular Formula Fragments

  • C6-H9-N3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C6H9N3.H3O4P/c7-3-5-9-4-1-2-6(9)8;1-5(2,3)4/h8H,1-2,4-5H2;(H3,1,2,3,4)

InChIKey

VOWRHDFINBRACB-UHFFFAOYSA-N

Smiles

C1CC(=N)N(C1)CC#N.OP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 332, 1993.