1-Boc-3-Bromopiperidine - ≥97% , CAS No.849928-26-3

CAS: 849928-26-3 Cat. No.: B195294 Fórmula: C₁₀H₁₈BrNO₂ Peso molecular: 264.16 Número CE: 687-268-8

GRADE & PURITY ≥97%

Synonyms

N-Boc-3-bromopiperidine | 3-Bromo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester | tert-Butyl 3-bromopiperidine-1-carboxylate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N-Boc-3-bromopiperidine | 3-Bromo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester | tert-Butyl 3-bromopiperidine-1-carboxylate

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528758944
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528758944
• Sorrisos canónicos: CC(C)(C)OC(=O)N1CCCC(C1)Br
• IUPAC Name: tert-butyl 3-bromopiperidine-1-carboxylate
• InChIKey: YCUDHDNCZHPAJK-UHFFFAOYSA-N
• INCHI: 1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3
• SMILES isoméricas: CC(C)(C)OC(=O)N1CCCC(C1)Br
• Peso molecular: 264.16
• Reaxy-Rn: 20270066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20270066&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears 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

Propriedades químicas e físicas

• Índice de refração: 1.488
• Peso molecular: 264.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.052 Da
• Monoisotopic Mass: 263.052 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 213.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1