Cas no 57957-09-2 (1,3-Propanediamine, N-(2-methylpropyl)-)

1,3-Propanediamine, N-(2-methylpropyl)- structure
57957-09-2 structure
Product Name:1,3-Propanediamine, N-(2-methylpropyl)-
CAS No:57957-09-2
MF:C7H18N2
MW:130.231221675873
CID:343656
PubChem ID:21402718
Update Time:2025-04-19

1,3-Propanediamine, N-(2-methylpropyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediamine, N-(2-methylpropyl)-
    • N'-(2-methylpropyl)propane-1,3-diamine
    • 1,3-propanediamine, N< sup> 1<
    • LogP
    • N-Isobutylpropane-1,3-diamine
    • sup> -(2-methylpropyl)-
    • 57957-09-2
    • N~1~-(2-Methylpropyl)propane-1,3-diamine
    • DTXSID00613154
    • SCHEMBL10151329
    • Inchi: 1S/C7H18N2/c1-7(2)6-9-5-3-4-8/h7,9H,3-6,8H2,1-2H3
    • InChI Key: MBUAMOKJRSMXKM-UHFFFAOYSA-N
    • SMILES: N(CCCN)CC(C)C

Computed Properties

  • Exact Mass: 130.14714
  • Monoisotopic Mass: 130.146998583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 52.9
  • 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: 0.5
  • Topological Polar Surface Area: 38?2

Experimental Properties

  • PSA: 38.05
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