Cas no 122377-70-2 (Benzenemethanamine, 3-nitro-N-(phenylmethyl)-)

Benzenemethanamine, 3-nitro-N-(phenylmethyl)- structure
122377-70-2 structure
Product Name:Benzenemethanamine, 3-nitro-N-(phenylmethyl)-
CAS No:122377-70-2
MF:C14H14N2O2
MW:242.273163318634
CID:1216977
Update Time:2024-08-05

Benzenemethanamine, 3-nitro-N-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, 3-nitro-N-(phenylmethyl)-
    • N-benzyl-1-(3-nitrophenyl)methanamine
    • Inchi: 1S/C14H14N2O2/c17-16(18)14-8-4-7-13(9-14)11-15-10-12-5-2-1-3-6-12/h1-9,15H,10-11H2
    • InChI Key: DFYDXMFZQUWIFS-UHFFFAOYSA-N
    • SMILES: C1(CNCC2=CC=CC=C2)=CC=CC([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 242.10562

Experimental Properties

  • Density: 1.189±0.06 g/cm3(Predicted)
  • Melting Point: 67 °C(Solv: methanol (67-56-1))
  • Boiling Point: 175 °C(Press: 1.0 Torr)
  • PSA: 55.17
  • pka: 7.95±0.20(Predicted)
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