Cas no 53663-26-6 (methyl-omega-cyanopelargonate)

methyl-omega-cyanopelargonate structure
methyl-omega-cyanopelargonate structure
Product Name:methyl-omega-cyanopelargonate
CAS No:53663-26-6
MF:C11H19NO2
MW:197.27406334877
CID:938912
PubChem ID:57350676
Update Time:2025-04-19

methyl-omega-cyanopelargonate Chemical and Physical Properties

Names and Identifiers

    • methyl-omega-cyanopelargonate
    • methyl 2-cyanononanoate
    • DTXSID60722190
    • SCHEMBL18672208
    • 53663-26-6
    • Inchi： 1S/C11H19NO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-9H2,1H3
    • InChI Key： UBTPEKWVYHMKKE-UHFFFAOYSA-N
    • SMILES： COC(CCCCCCCCC#N)=O

Computed Properties

  • Exact Mass: 197.141578849g/mol
  • Monoisotopic Mass: 197.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 205
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • Density: 0.9340
  • Melting Point: 1.8°C
  • Boiling Point: 334.39°C (rough estimate)
  • Refractive Index: 1.4398 (estimate)

methyl-omega-cyanopelargonate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxygen ,  Ozone Solvents: Isopropanol ;  0 °C
1.2 Reagents: Aminourea hydrochloride ;  rt
Reference
One-pot ozonolytic synthesis of acyclic α,ω-bifunctional compounds from methyl 10-undecenoate and 10-undecen-1-ol
Legostaeva, Yu. V.; et al, Russian Journal of Applied Chemistry, 2015, 88(6), 935-940

methyl-omega-cyanopelargonate Raw materials

methyl-omega-cyanopelargonate Preparation Products

methyl-omega-cyanopelargonate Related Literature

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