Cas no 94166-51-5 (nonanoic acid, compound with tributylamine (1:1))

nonanoic acid, compound with tributylamine (1:1) structure
94166-51-5 structure
Product Name:nonanoic acid, compound with tributylamine (1:1)
CAS No:94166-51-5
MF:C21H45NO2
MW:343.587507009506
CID:1985196
PubChem ID:44144707
Update Time:2025-04-21

nonanoic acid, compound with tributylamine (1:1) Chemical and Physical Properties

Names and Identifiers

    • nonanoic acid, compound with tributylamine (1:1)
    • N,N-dibutylbutan-1-aminium nonanoate
    • N,N-dibutylbutan-1-amine,nonanoic acid
    • NS00093148
    • 94166-51-5
    • DTXSID40240908
    • EINECS 303-346-3
    • Inchi: 1S/C12H27N.C9H18O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-6-7-8-9(10)11/h4-12H2,1-3H3;2-8H2,1H3,(H,10,11)
    • InChI Key: VUKJIWMKXZSKMU-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCCC)=O.N(CCCC)(CCCC)CCCC

Computed Properties

  • Exact Mass: 343.345
  • Monoisotopic Mass: 343.345
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 16
  • Complexity: 172
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5A^2

Experimental Properties

  • Boiling Point: 445.3°C at 760 mmHg
  • Flash Point: 223.1°C

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