Cas no 1003947-06-5 (N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine)

N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine is a specialized nitropyridine derivative featuring a dimethoxyethylamine substituent. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of pharmacologically active molecules or agrochemicals. The presence of both nitro and amine functional groups offers versatility for further functionalization, such as reduction or nucleophilic substitution reactions. The dimethoxyethyl moiety enhances solubility in polar organic solvents, facilitating its use in various reaction conditions. Its well-defined structure and reactivity make it a valuable building block for researchers developing novel heterocyclic compounds or exploring structure-activity relationships in medicinal chemistry.
N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine structure
1003947-06-5 structure
Product Name:N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine
CAS No:1003947-06-5
MF:C9H13N3O4
MW:227.217221975327
CID:1125594
PubChem ID:50999371
Update Time:2025-05-27

N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine Chemical and Physical Properties

Names and Identifiers

    • N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine
    • MFCD12068362
    • CS-0172530
    • 1003947-06-5
    • A910158
    • AKOS026670834
    • SB55238
    • DTXSID50679482
    • SCHEMBL4299530
    • AS-31398
    • (2,2-Dimethoxy-ethyl)-(3-nitro-pyridin-2-yl)-amine
    • MDL: MFCD12068362
    • Inchi: 1S/C9H13N3O4/c1-15-8(16-2)6-11-9-7(12(13)14)4-3-5-10-9/h3-5,8H,6H2,1-2H3,(H,10,11)
    • InChI Key: OALZZCLISYXUMT-UHFFFAOYSA-N
    • SMILES: O(C)C(CNC1C(=CC=CN=1)[N+](=O)[O-])OC

Computed Properties

  • Exact Mass: 227.09060590g/mol
  • Monoisotopic Mass: 227.09060590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 217
  • 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: 1.4
  • Topological Polar Surface Area: 89.2?2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.3±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 378.0±42.0 °C at 760 mmHg
  • Flash Point: 182.4±27.9 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine Security Information

N-(2,2-dimethoxyethyl)-3-nitropyridin-2-amine Pricemore >>

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