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Substance Name: Benzonitrile, 2,6-dimethyl-, N-oxide
RN: 19111-74-1
InChIKey: NRKVPDRPJVCLAQ-UHFFFAOYSA-N

Molecular Weight

  • 147.176
 
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Names and Synonyms

  • Benzonitrile, 2,6-dimethyl-, N-oxide

Registry Numbers

CAS Registry Number

  • 19111-74-1

System Generated Number

  • 0019111741

Structure Descriptors

InChI

1S/C9H9NO/c1-7-4-3-5-8(2)9(7)6-10-11/h3-5H,1-2H3

InChIKey

NRKVPDRPJVCLAQ-UHFFFAOYSA-N

Smiles

[N+](#Cc1c(cccc1C)C)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.74 (none)   EXP
Water Solubility 357 mg/L 25 EST
Vapor Pressure 3.950 mm Hg 25 EST
Henry's Law Constant 6.35E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.77E-12 cm3/molecule-sec 25 EST

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