Cas no 106353-12-2 (1,3-PROPANEDIAMINE, N-[(2-METHOXYPHENYL)METHYL]-)

1,3-PROPANEDIAMINE, N-[(2-METHOXYPHENYL)METHYL]- structure
106353-12-2 structure
Product Name:1,3-PROPANEDIAMINE, N-[(2-METHOXYPHENYL)METHYL]-
CAS No:106353-12-2
MF:C11H18N2O
MW:194.273422718048
CID:3191176
PubChem ID:13880849
Update Time:2025-04-21

1,3-PROPANEDIAMINE, N-[(2-METHOXYPHENYL)METHYL]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-PROPANEDIAMINE, N-[(2-METHOXYPHENYL)METHYL]-
    • N-[(2-methoxyphenyl)methyl]propane-1,3-diamine
    • N1-[(2-Methoxyphenyl)methyl]-1,3-propanediamine
    • 106353-12-2
    • DTXSID501242286
    • SCHEMBL10873043
    • Inchi: 1S/C11H18N2O/c1-14-11-6-3-2-5-10(11)9-13-8-4-7-12/h2-3,5-6,13H,4,7-9,12H2,1H3
    • InChI Key: IRKRYKYYQONACD-UHFFFAOYSA-N
    • SMILES: C(NCC1=CC=CC=C1OC)CCN

Computed Properties

  • Exact Mass: 194.141913202Da
  • Monoisotopic Mass: 194.141913202Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 141
  • 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: 0.8
  • Topological Polar Surface Area: 47.3?2
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