Cas no 4253-76-3 (1,3-Propanediamine,N1-octadecyl-)

1,3-Propanediamine,N1-octadecyl- structure
4253-76-3 structure
Product Name:1,3-Propanediamine,N1-octadecyl-
CAS No:4253-76-3
MF:C21H46N2
MW:326.603346347809
CID:329845
PubChem ID:77931
Update Time:2025-04-19

1,3-Propanediamine,N1-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediamine,N1-octadecyl-
    • N'-octadecylpropane-1,3-diamine
    • N-octadecylpropane-1,3-diamine
    • 1,3-Propanediamine, N-octadecyl-
    • DA 86
    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-
    • 4253-76-3
    • EINECS 224-224-5
    • 1,3-PROPANEDIAMINE, N1-OCTADECYL-
    • N1-Octadecyl-1,3-propanediamine
    • 39HN1J1N5T
    • 3-(STEARYLAMINO)PROPYLAMINE
    • n-stearyl-1,3-propanediamine
    • UNII-39HN1J1N5T
    • DXYUWQFEDOQSQY-UHFFFAOYSA-N
    • Duomeen o
    • n-octadecyl-1,3-propylenediamine
    • 3-(OCTADECYLAMINO)PROPYLAMINE
    • DTXSID20195321
    • SCHEMBL239270
    • Q27256906
    • NS00022181
    • N~1~-octadecyl-1,3-propanediamine
    • N-octadecyl propane-1,3 diamine
    • N-STEARYLTRIMETHYLENEDIAMINE
    • N1-Octadecylpropane-1,3-diamine
    • n-octadecyl-1,3-propanediamine
    • stearylaminopropylamine
    • AI3-28243
    • n-stearyl-1,3-diaminopropane
    • 1,3-Propanediamine, N-octadecyl-, dihydrochloride
    • n-octadecyltrimethylenediamine
    • Octadecyliminipropylamine
    • Inchi: 1S/C21H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h23H,2-22H2,1H3
    • InChI Key: DXYUWQFEDOQSQY-UHFFFAOYSA-N
    • SMILES: N(CCCN)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 326.36638
  • Monoisotopic Mass: 326.366
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 20
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38A^2
  • XLogP3: 8

Experimental Properties

  • Density: 0.842
  • Boiling Point: 413.7°Cat760mmHg
  • Flash Point: 241.4°C
  • Refractive Index: 1.461
  • PSA: 38.05
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