Cas no 57806-32-3 (N'-benzylpyridine-3,4-diamine)

N'-benzylpyridine-3,4-diamine structure
N'-benzylpyridine-3,4-diamine structure
Product Name:N'-benzylpyridine-3,4-diamine
CAS No:57806-32-3
MF:C12H13N3
MW:199.251722097397
CID:1607230
PubChem ID:12239326
Update Time:2025-04-21

N'-benzylpyridine-3,4-diamine Chemical and Physical Properties

Names and Identifiers

    • N'-benzylpyridine-3,4-diamine
    • 3-Amino-4-(benzylamino)pyridine
    • 4-N-benzylpyridine-3,4-diamine
    • N4-(PHENYLMETHYL)-3,4-PYRIDINEDIAMINE
    • SCHEMBL16489564
    • AKOS009235619
    • E88018
    • MFCD09757488
    • DB-072376
    • N4-benzylpyridine-3,4-diamine
    • DTXSID40481910
    • 57806-32-3
    • 3-amino-4-benzylaminopyridine
    • Inchi: 1S/C12H13N3/c13-11-9-14-7-6-12(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8,13H2,(H,14,15)
    • InChI Key: OGXHMKKZMOZRQL-UHFFFAOYSA-N
    • SMILES: N(C1C=CN=CC=1N)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: 1.6
  • Topological Polar Surface Area: 50.9?2

Experimental Properties

  • Density: 1.206
  • Boiling Point: 401.7°C at 760 mmHg
  • Flash Point: 196.8°C
  • Refractive Index: 1.684
  • PSA: 50.94
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