Cas no 51505-08-9 (2,6-Pyridinediamine, N-(phenylmethyl)-)

2,6-Pyridinediamine, N-(phenylmethyl)- structure
51505-08-9 structure
Product Name:2,6-Pyridinediamine, N-(phenylmethyl)-
CAS No:51505-08-9
MF:C12H13N3
MW:199.251722097397
CID:362147
PubChem ID:12303394
Update Time:2025-04-19

2,6-Pyridinediamine, N-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,6-Pyridinediamine, N-(phenylmethyl)-
    • 6-N-benzylpyridine-2,6-diamine
    • AKOS017531810
    • SCHEMBL12820608
    • 51505-08-9
    • DTXSID60486669
    • Inchi: 1S/C12H13N3/c13-11-7-4-8-12(15-11)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,13,14,15)
    • InChI Key: AAMORHMWELAOSM-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=C(N)N=1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 199.11109
  • Monoisotopic Mass: 199.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 178
  • 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: 2.3
  • Topological Polar Surface Area: 50.9?2

Experimental Properties

  • PSA: 50.94
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