Cas no 61614-51-5 (N-butyl-2-ethylhexylamine)

N-butyl-2-ethylhexylamine structure
N-butyl-2-ethylhexylamine structure
Product Name:N-butyl-2-ethylhexylamine
CAS No:61614-51-5
MF:C12H27N
MW:185.349483728409
CID:954802
PubChem ID:108563
Update Time:2025-04-19

N-butyl-2-ethylhexylamine Chemical and Physical Properties

Names and Identifiers

    • N-butyl-2-ethylhexylamine
    • N-butyl-2-ethylhexan-1-amine
    • 1-Hexanamine, N-butyl-2-ethyl-
    • AI3-17901
    • DTXSID50977213
    • DB-321013
    • WNTBDUYEISRPNS-UHFFFAOYSA-N
    • EINECS 262-871-5
    • SCHEMBL2404148
    • NS00053719
    • 61614-51-5
    • AKOS009023832
    • Inchi: 1S/C12H27N/c1-4-7-9-12(6-3)11-13-10-8-5-2/h12-13H,4-11H2,1-3H3
    • InChI Key: WNTBDUYEISRPNS-UHFFFAOYSA-N
    • SMILES: N(CCCC)CC(CC)CCCC

Computed Properties

  • Exact Mass: 185.21451
  • Monoisotopic Mass: 185.214349865g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 9
  • Complexity: 91.1
  • 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: 4.2
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03
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