4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

CAS Registry Number®

63617-61-8

CAS Name

4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

Molecular Formula

C21H19N3

Molecular Mass

313.40

Cite this Page

4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63617-61-8 (retrieved 2024-11-25) (CAS RN: 63617-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    93.5 °C (polymorph)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C21H19N3/c1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19/h5-12,14-15H,2-4H2,1H3

InChIKey

InChIKey=GQJHPVOLXNKXKB-UHFFFAOYSA-N

SMILES

C(CCC)C1=CC=C(C=2C=NC(=NC2)C3=CC=C(C#N)C=C3)C=C1

Canonical SMILES

N#CC=1C=CC(=CC1)C=2N=CC(=CN2)C3=CC=C(C=C3)CCCC

Other Names for this Substance

  • Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-
  • 4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile
  • 5-(4-Butylphenyl)-2-(4-cyanophenyl)pyrimidine
  • Ro TN 7334
  • ROCP 7334

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