Cas no 116753-51-6 (3-(3-Nitrophenoxy)propan-1-amine)

3-(3-Nitrophenoxy)propan-1-amine is a nitroaromatic amine derivative characterized by its phenoxy-linked propylamine structure. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its nitrophenoxy moiety offers reactivity for further functionalization, while the terminal amine group provides versatility in coupling reactions. The compound's well-defined molecular structure ensures consistent performance in synthetic applications. It is typically handled under controlled conditions due to its sensitivity, requiring appropriate storage and handling protocols. Researchers value this intermediate for its role in constructing complex molecules, particularly in medicinal chemistry where nitroaromatic scaffolds are of interest.
3-(3-Nitrophenoxy)propan-1-amine structure
116753-51-6 structure
Product Name:3-(3-Nitrophenoxy)propan-1-amine
CAS No:116753-51-6
MF:C9H12N2O3
MW:196.203182220459
MDL:MFCD12818946
CID:858488
PubChem ID:14025821
Update Time:2025-10-20

3-(3-Nitrophenoxy)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Nitrophenoxy)propan-1-amine
    • 3-(3-nitrophenoxy)-1-Propanamine
    • 3-(3-NITROPHENOXY)PROPYLAMINE
    • 1-Propanamine, 3-(3-nitrophenoxy)-
    • LogP
    • C77777
    • DTXSID20554530
    • SCHEMBL8901225
    • AKOS009164356
    • CS-0269234
    • 116753-51-6
    • MFCD12818946
    • EN300-1867611
    • DB-060919
    • SY008312
    • MDL: MFCD12818946
    • Inchi: 1S/C9H12N2O3/c10-5-2-6-14-9-4-1-3-8(7-9)11(12)13/h1,3-4,7H,2,5-6,10H2
    • InChI Key: QMRSDYBQUDEVCQ-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C=1)[N+](=O)[O-])CCCN

Computed Properties

  • Exact Mass: 196.08500
  • Monoisotopic Mass: 196.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 181
  • 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: 81.1?2

Experimental Properties

  • Density: 1.211
  • Boiling Point: 354.1°C at 760 mmHg
  • Flash Point: 167.9°C
  • Refractive Index: 1.558
  • PSA: 81.07000
  • LogP: 2.54590

3-(3-Nitrophenoxy)propan-1-amine Customs Data

  • HS CODE:2922299090
  • Customs Data:

    China Customs Code:

    2922299090

    Overview:

    2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-(3-Nitrophenoxy)propan-1-amine Pricemore >>

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3-(3-Nitrophenoxy)propan-1-amine Production Method

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