4-[(tert-Butoxycarbonylamino)methyl]pyridine - ≥98% , CAS No.111080-65-0

CAS: 111080-65-0 Cat. No.: T162144 Peso molecular: 208.26 Número EC: 601-040-7 PubChem CID: 1512532

GRADE & PURITY ≥98%

Synonyms

4-(tert-butyloxycarbonylaminomethyl) pyridine | AS-64532 | DTXSID00363708 | AMY25008 | tert-butyl N-(pyridin-4-ylmethyl)carbamate | EN300-81017 | KXCFJDZVQLRYSI-UHFFFAOYSA-N | J-513653 | s11724 | N-Boc-4-aminomethylpyridine | B2126 | tert-butyl N-[(pyridi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(tert-butyloxycarbonylaminomethyl) pyridine | AS-64532 | DTXSID00363708 | AMY25008 | tert-butyl N-(pyridin-4-ylmethyl)carbamate | EN300-81017 | KXCFJDZVQLRYSI-UHFFFAOYSA-N | J-513653 | s11724 | N-Boc-4-aminomethylpyridine | B2126 | tert-butyl N-[(pyridi

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191883
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191883
• Sonrisas canónicas: CC(C)(C)OC(=O)NCC1=CC=NC=C1
• IUPAC Name: tert-butyl N-(pyridin-4-ylmethyl)carbamate
• InChIKey: KXCFJDZVQLRYSI-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O2/c1-11(2,3)15-10(14)13-8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3,(H,13,14)
• Isómeros SMILES: CC(C)(C)OC(=O)NCC1=CC=NC=C1
• WGK Alemania: 3
• PubChem CID: 1512532
• Peso molecular: 208.26
• Reaxy-Rn: 4416331

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Punto de fusión (°C): 80.0 to 85.0 °C
• Peso molecular: 208.260 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.121 Da
• Monoisotopic Mass: 208.121 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• 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