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Substance Name: Propanenitrile, 2,2-dimethyl-
RN: 630-18-2
InChIKey: JAMNHZBIQDNHMM-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-N

Molecular Weight

  • 83.1331
 
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Names and Synonyms

Synonyms

  • 2,2-Dimethylpropanenitrile
  • 2,2-Dimethylpropionitrile
  • 2-Cyano-2-methylpropane
  • AI3-33242
  • EINECS 211-133-0
  • NSC 890
  • Pivalonitrile
  • tert-Butyl cyanide
  • tert-Butylnitrile
  • Trimethylacetonitrile

Systematic Names

  • Pivalonitrile
  • Propanenitrile, 2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 630-18-2

System Generated Number

  • 0000630182

Structure Descriptors

InChI

1S/C5H9N/c1-5(2,3)4-6/h1-3H3

InChIKey

JAMNHZBIQDNHMM-UHFFFAOYSA-N

Smiles

C(C#N)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
Boiling Point 106.1 deg C   EXP
log P (octanol-water) 1.08 (none)   EXP
Water Solubility 8380 mg/L 25 EST
Henry's Law Constant 7.15E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.02E-13 cm3/molecule-sec 25 EST

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