Valeroidine

CAS Registry Number®

490-96-0

CAS Name

Valeroidine

Molecular Formula

C13H23NO3

Molecular Mass

241.33

Cite this Page

Valeroidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=490-96-0 (retrieved 2024-12-04) (CAS RN: 490-96-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    163-167 °C @ Press: 2 Torr

  • Melting Point (2)

    85 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9-,10-,11+,12-/m1/s1

InChIKey

InChIKey=APLLVFVOTXZBFO-WISYIIOYSA-N

SMILES

CN1[C@]2(C[C@H](OC(CC(C)C)=O)C[C@@]1(C[C@H]2O)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(C1)C(O)C2)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (1S,3R,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • 1αH,5αH-Tropane-3α,6β-diol, 3-isovalerate
  • Valeroidine
  • Butanoic acid, 3-methyl-, 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [1S-(3-endo,6-exo)]-

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