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Substance Name: Sodium beta-sulfopropionitrile
RN: 513-15-5
UNII: 0X7B496JFW
InChIKey: OUBHSSAWQNSXCU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H5-N-O3-S.Na

Molecular Weight

  • 157.125
 
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Names and Synonyms

Name of Substance

  • Sodium beta-sulfopropionitrile

Synonyms

  • 2-Cyanoethanesulfonic acid sodium salt
  • Sodium 2-cyanoethanesulfonate
  • Sodium beta-sulfopropionitrile
  • UNII-0X7B496JFW

Systematic Name

  • Ethanesulfonic acid, 2-cyano-, sodium salt

Registry Numbers

CAS Registry Number

  • 513-15-5

FDA UNII

  • 0X7B496JFW

System Generated Number

  • 0000513155

Molecular Formulas

Molecular Formula

  • C3-H5-N-O3-S.Na

Molecular Formula Fragments

  • C3-H5-N-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C3H5NO3S.Na/c4-2-1-3-8(5,6)7;/h1,3H2,(H,5,6,7);/q;+1/p-1

InChIKey

OUBHSSAWQNSXCU-UHFFFAOYSA-M

Smiles

S([O-])(=O)(=O)CCC#N.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 243.5 deg C   EXP
log P (octanol-water) -5.020 (none)   EST
Atmospheric OH Rate Constant 3.30E-13 cm3/molecule-sec 25 EST

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