Cas no 87035-66-3 (Benzenamine, 3-nitro-N-propyl-)

Benzenamine, 3-nitro-N-propyl-, is a nitro-substituted aromatic amine with the molecular formula C?H??N?O?. This compound is characterized by the presence of a nitro group at the meta position relative to the propylamino substituent on the benzene ring. Its structural features make it a valuable intermediate in organic synthesis, particularly in the production of dyes, agrochemicals, and pharmaceuticals. The nitro group enhances reactivity, facilitating further functionalization, while the propyl chain contributes to solubility in organic solvents. Careful handling is required due to potential sensitivity to light and heat. Its consistent purity and well-defined chemical properties ensure reliable performance in industrial applications.
Benzenamine, 3-nitro-N-propyl- structure
87035-66-3 structure
Product Name:Benzenamine, 3-nitro-N-propyl-
CAS No:87035-66-3
MF:C9H12N2O2
MW:180.203782081604
MDL:MFCD00051836
CID:659688
PubChem ID:14946374
Update Time:2025-10-30

Benzenamine, 3-nitro-N-propyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 3-nitro-N-propyl-
    • 3-nitro-N-propylaniline
    • Z425390832
    • MFCD00051836
    • SCHEMBL5880840
    • DTXSID30565879
    • AKOS005348873
    • EN300-69276
    • 87035-66-3
    • MDL: MFCD00051836
    • Inchi: 1S/C9H12N2O2/c1-2-6-10-8-4-3-5-9(7-8)11(12)13/h3-5,7,10H,2,6H2,1H3
    • InChI Key: YNDCZIHAGOFRFB-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC(=C1)NCCC)=O

Computed Properties

  • Exact Mass: 180.089877630g/mol
  • Monoisotopic Mass: 180.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 168
  • 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: 2.6
  • Topological Polar Surface Area: 57.8?2

Benzenamine, 3-nitro-N-propyl- Pricemore >>

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abcr
AB384804-250 mg
3-Nitro-N-propylaniline; .
87035-66-3
250 mg
€265.00 2023-07-19
abcr
AB384804-1 g
3-Nitro-N-propylaniline; .
87035-66-3
1 g
€578.50 2023-07-19

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