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Substance Name: Acetonitrile, (diethylamino)phenyl-
RN: 5097-99-4
InChIKey: MNUHBMWEFILMEW-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-N2

Molecular Weight

  • 188.272
 
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Names and Synonyms

Synonyms

  • 4-14-00-01322 (Beilstein Handbook Reference)
  • BRN 2099346
  • Diethylaminophenylacetonitrile

Systematic Name

  • Acetonitrile, (diethylamino)phenyl-

Registry Numbers

CAS Registry Number

  • 5097-99-4

System Generated Number

  • 0005097994

Structure Descriptors

InChI

1S/C12H16N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3

InChIKey

MNUHBMWEFILMEW-UHFFFAOYSA-N

Smiles

c1([C@@H](N(CC)CC)C#N)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 25mg/kg (25mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 447, 1904.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.180 (none)   EST
Water Solubility 2.00E+04 mg/L 30 EXP
Atmospheric OH Rate Constant 2.58E-11 cm3/molecule-sec 25 EST

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