Methyl 4-aminonicotinate - ≥98% , CAS No.16135-36-7

CAS: 16135-36-7 Cat. No.: M120079 Peso molecular: 152.15 Número EC: 672-071-1

GRADE & PURITY ≥98%

Synonyms

N.N-dimethylformamide | Nicotinic acid, 4-amino-, methyl ester | DTXSID00343803 | 4-Aminonicotinic acid methyl ester | 4-amino-nicotinic acid methyl ester | EN300-183104 | FS-1350 | 4-Aminonicotinicacidmethylester | A3572 | Z1201620705 | J-514450 | M2303

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

N.N-dimethylformamide | Nicotinic acid, 4-amino-, methyl ester | DTXSID00343803 | 4-Aminonicotinic acid methyl ester | 4-amino-nicotinic acid methyl ester | EN300-183104 | FS-1350 | 4-Aminonicotinicacidmethylester | A3572 | Z1201620705 | J-514450 | M2303

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190529
• Sonrisas canónicas: COC(=O)C1=C(C=CN=C1)N
• IUPAC Name: methyl 4-aminopyridine-3-carboxylate
• InChIKey: OCARFFAPQGYGBP-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3,(H2,8,9)
• Isómeros SMILES: COC(=O)C1=C(C=CN=C1)N
• Peso molecular: 152.15
• Reaxy-Rn: 383687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aminopyridines and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 172-174°
• Peso molecular: 152.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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