Cas no 302799-84-4 (Benzenamine, 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propynyl]-)

Benzenamine, 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propynyl]- structure
302799-84-4 structure
Product Name:Benzenamine, 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propynyl]-
CAS No:302799-84-4
MF:C21H23N3O2
MW:349.426224946976
CID:1441525
Update Time:2024-08-15

Benzenamine, 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propynyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propynyl]-
    • 4-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-2-nitrobenzeneamine
    • Benzenamine, 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]-1-propyn-1-yl]-
    • Inchi: 1S/C21H23N3O2/c22-20-9-8-18(16-21(20)24(25)26)7-4-12-23-13-10-19(11-14-23)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15,22H2
    • InChI Key: DQELTHMQFXAPMM-UHFFFAOYSA-N
    • SMILES: C1(N)=CC=C(C#CCN2CCC(CC3=CC=CC=C3)CC2)C=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 349.17919

Experimental Properties

  • Density: 1.23±0.1 g/cm3(Predicted)
  • Boiling Point: 523.4±50.0 °C(Predicted)
  • PSA: 72.4
  • pka: 7.68±0.10(Predicted)
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