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Substance Name: trans-Cinnamonitrile
RN: 1885-38-7
UNII: H475UV3WWH
InChIKey: ZWKNLRXFUTWSOY-QPJJXVBHSA-N

Molecular Formula

  • C9-H7-N

Molecular Weight

  • 129.161
 
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Names and Synonyms

Name of Substance

  • trans-Cinnamonitrile

Synonyms

  • (E)-3-Phenylacrylonitrile
  • Cinnamonitrile, (E)-
  • EINECS 217-552-5
  • NSC 77496
  • trans-3-Phenyl-2-propenenitrile
  • trans-beta-Phenylacrylonitrile
  • trans-Cinnamonitrile
  • UNII-H475UV3WWH

Systematic Names

  • 2-Propenenitrile, 3-phenyl-, (2E)-
  • 2-Propenenitrile, 3-phenyl-, (E)-
  • Cinnamonitrile

Registry Numbers

CAS Registry Number

  • 1885-38-7

FDA UNII

  • H475UV3WWH

System Generated Number

  • 0001885387

Structure Descriptors

InChI

1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+

InChIKey

ZWKNLRXFUTWSOY-QPJJXVBHSA-N

Smiles

N#C\C=C\c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 22 deg C   EXP
Boiling Point 263.8 deg C   EXP
log P (octanol-water) 1.96 (none)   EXP
Water Solubility 1070 mg/L 25 EST
Vapor Pressure 0.023 mm Hg 25 EST
Henry's Law Constant 6.16E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-11 cm3/molecule-sec 25 EST

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