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Substance Name: Benzonitrile, 4-(((methylamino)carbonyl)oxy)-
RN: 18315-52-1
InChIKey: AWTZJNWJJBRAQX-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-N2-O2

Molecular Weight

  • 176.174
 
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Names and Synonyms

Synonym

  • 4-(((Methylamino)carbonyl)oxy)benzonitrile

Systematic Name

  • Benzonitrile, 4-(((methylamino)carbonyl)oxy)-

Registry Numbers

CAS Registry Number

  • 18315-52-1

System Generated Number

  • 0018315521

Structure Descriptors

InChI

1S/C9H8N2O2/c1-11-9(12)13-8-4-2-7(6-10)3-5-8/h2-5H,1H3,(H,11,12)

InChIKey

AWTZJNWJJBRAQX-UHFFFAOYSA-N

Smiles

CNC(=O)Oc1ccc(C#N)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.95 (none)   EXP
Water Solubility 4820 mg/L 25 EST
Vapor Pressure 6.30E-04 mm Hg 25 EST
Henry's Law Constant 3.10E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.08E-12 cm3/molecule-sec 25 EST

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