4-(2,2,2-Trimethylacetamido)pyridine - ≥97% , CAS No.70298-89-4

CAS: 70298-89-4 Cat. No.: T119374 Molecular Weight: 178.24 EC Number: 896-511-9 PubChem CID: 427059

GRADE & PURITY ≥97%

Synonyms

2,2-dimethyl-N-(4-pyridyl)propanamide;2,2-Dimethyl-N-(4-pyridinyl)propanamide | 4-trimethylacetamidopyridine | HMS1443I07 | Z255129520 | 2,2-Dimethyl-N-pyridin-4-yl-propionamide | BBL104295 | FT-0609276 | Propanamide,2,2-dimethyl-N-4-pyridinyl- | A836838

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 2-dimethyl-N-(4-pyridyl)propanamide;2, 2-Dimethyl-N-(4-pyridinyl)propanamide | 4-trimethylacetamidopyridine | HMS1443I07 | Z255129520 | 2, 2-Dimethyl-N-pyridin-4-yl-propionamide | BBL104295 | FT-0609276 | Propanamide, 2, 2-dimethyl-N-4-pyridinyl- | A836838

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189717
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189717
• Canonical Smiles: CC(C)(C)C(=O)NC1=CC=NC=C1
• IUPAC Name: 2,2-dimethyl-N-pyridin-4-ylpropanamide
• InChIKey: JCMMVFHXRDNILC-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13)
• Isomeric SMILES: CC(C)(C)C(=O)NC1=CC=NC=C1
• PubChem CID: 427059
• Molecular Weight: 178.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 135-137°C
• Molecular Weight: 178.230 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.111 Da
• Monoisotopic Mass: 178.111 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 178.000
• 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