2-(3-METHOXYPROPYLAMINO)-5-NITROPYRIDINE , CAS No.25948-13-4

CAS: 25948-13-4 Cat. No.: M169099 Formule: C₉H₁₃N₃O₃ Poids moléculaire: 211.222 Numéro CE: 654-207-1

Synonyms

NSC100741 | NSC-100741 | D74371 | 2-(3-METHOXYPROPYLAMINO)-5-NITROPYRIDINE | Pyridine, 2-(3-methoxypropylamino)-5-nitro- | AKOS008994890 | N-(3-Methoxypropyl)-5-nitropyridine-2-amine | DTXSID20180616 | KS-5425 | NSC 100741 | N-(3-methoxypropyl)-5-nitropyr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

NSC100741 | NSC-100741 | D74371 | 2-(3-METHOXYPROPYLAMINO)-5-NITROPYRIDINE | Pyridine, 2-(3-methoxypropylamino)-5-nitro- | AKOS008994890 | N-(3-Methoxypropyl)-5-nitropyridine-2-amine | DTXSID20180616 | KS-5425 | NSC 100741 | N-(3-methoxypropyl)-5-nitropyr

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

COCCCNC1=NC=C(C=C1)[N+](=O)[O-]

IUPAC Name

N-(3-methoxypropyl)-5-nitropyridin-2-amine

InChIKey

XRNKQYFNGGZNCN-UHFFFAOYSA-N

INCHI

1S/C9H13N3O3/c1-15-6-2-5-10-9-4-3-8(7-11-9)12(13)14/h3-4,7H,2,5-6H2,1H3,(H,10,11)

Isomères SMILES

COCCCNC1=NC=C(C=C1)[N+](=O)[O-]

Poids moléculaire

211.222

Reaxy-Rn

396311

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=396311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Organic oxoazanium - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic zwitterion - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 211.220 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 211.096 Da
• Monoisotopic Mass: 211.096 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 25948-13-4, the molecular formula is C9H13N3O3, and the molecular weight is 211.222 g/mol. InChIKey XRNKQYFNGGZNCN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.