(6-Aminomethyl-pyridin-2-YL)-carbamic acid tert-butyl ester - ≥97% , CAS No.1060801-10-6

CAS: 1060801-10-6 Cat. No.: A999330 Peso molecular: 223.270

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=CC=CC(=N1)CN
• IUPAC Name: tert-butyl N-[6-(aminomethyl)pyridin-2-yl]carbamate
• InChIKey: KOPRMGZQWPDOAN-UHFFFAOYSA-N
• INCHI: 1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-6-4-5-8(7-12)13-9/h4-6H,7,12H2,1-3H3,(H,13,14,15)
• Peso molecular: 223.270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass 2-pyridylmethylamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: 2-pyridylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-substituted-2-pyridinylmethylamines
• Alternative Parents: Aralkylamines Imidolactams Heteroaromatic compounds Carbamate esters Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 6-substituted-2-pyridinylmethylamine - Aralkylamine - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-substituted-2-pyridinylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine, and at the 6-position with any non-hydrogen atom.
• 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

• Peso molecular: 223.270 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 223.132 Da
• Monoisotopic Mass: 223.132 Da
• Topological Polar Surface Area: 77.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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