Cas no 38486-29-2 (N-[(o-tolyl)methyl]propane-1,3-diamine)

N-[(o-tolyl)methyl]propane-1,3-diamine structure
38486-29-2 structure
Product Name:N-[(o-tolyl)methyl]propane-1,3-diamine
CAS No:38486-29-2
MF:C11H18N2
MW:178.274022579193
CID:923557
PubChem ID:3015983
Update Time:2025-09-26

N-[(o-tolyl)methyl]propane-1,3-diamine Chemical and Physical Properties

Names and Identifiers

    • N-[(o-tolyl)methyl]propane-1,3-diamine
    • N'-[(2-methylphenyl)methyl]propane-1,3-diamine
    • 1,3-Propanediamine, N-((2-methylphenyl)methyl)-
    • N-((o-Tolyl)methyl)propane-1,3-diamine
    • N-(2-methylbenzyl)propane-1,3-diamine
    • 38486-29-2
    • SCHEMBL14399064
    • AKOS000265997
    • GMK684AEG8
    • UNII-GMK684AEG8
    • BOIHMOWQNFKVCP-UHFFFAOYSA-N
    • DB-343755
    • (3-AMINOPROPYL)[(2-METHYLPHENYL)METHYL]AMINE
    • NS00030402
    • A1-05875
    • N1-[(2-methylphenyl)methyl]-1,3-Propanediamine
    • 1,3-PROPANEDIAMINE, N1-((2-METHYLPHENYL)METHYL)-
    • N1-((2-METHYLPHENYL)METHYL)-1,3-PROPANEDIAMINE
    • DTXSID20191808
    • EINECS 253-966-2
    • STL183334
    • Inchi: 1S/C11H18N2/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-3,5-6,13H,4,7-9,12H2,1H3
    • InChI Key: BOIHMOWQNFKVCP-UHFFFAOYSA-N
    • SMILES: N(CC1C=CC=CC=1C)CCCN

Computed Properties

  • Exact Mass: 178.14714
  • Monoisotopic Mass: 178.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 125
  • 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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 38?2

Experimental Properties

  • Density: 0.968
  • Boiling Point: 295.8°C at 760 mmHg
  • Flash Point: 154.4°C
  • Refractive Index: 1.531
  • PSA: 38.05

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