trans-3,3,5-Trimethylcyclohexyl nicotinate

CAS Registry Number®

53449-58-4

CAS Name

trans-3,3,5-Trimethylcyclohexyl nicotinate

Molecular Formula

C15H21NO2

Molecular Mass

247.33

Cite this Page

trans-3,3,5-Trimethylcyclohexyl nicotinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53449-58-4 (retrieved 2024-11-24) (CAS RN: 53449-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    127.5 °C

  • Melting Point (1)

    <25 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1/C15H21NO2/c1-11-7-13(9-15(2,3)8-11)18-14(17)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3/t11-,13-/s2

InChIKey

InChIKey=GQSGZTBDVNUIQS-BJBPJPDTNA-N

SMILES

O(C(=O)C=1C=CC=NC1)[C@H]2CC(C)(C)C[C@H](C)C2

Canonical SMILES

O=C(OC1CC(C)CC(C)(C)C1)C=2C=NC=CC2

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, (1R,5S)-3,3,5-trimethylcyclohexyl ester, rel-
  • 3-Pyridinecarboxylic acid, 3,3,5-trimethylcyclohexyl ester, trans-
  • Ciclonicate
  • trans-3,3,5-Trimethylcyclohexyl nicotinate
  • Bled

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