4-Bromo-1-methylpiperidine - ≥97% , CAS No.76444-51-4

CAS: 76444-51-4 Cat. No.: B194964 Formula: C₆H₁₂BrN Peso molecolare: 178.08 Numero EC: 632-597-4

GRADE & PURITY ≥97%

Synonyms

DTXSID60467978 | BDA44451 | EN300-1243204 | RTEVQEDKZPFGNP-UHFFFAOYSA-N | Piperidine, 4-bromo-1-methyl- | SY005026 | P10148 | 4-bromo-1-methylpiperidine | A865483 | 4-BROMO-N-METHYL PIPERIDINE | AS-15062 | SCHEMBL7073887 | SB41040 | N-Methyl-4-bromopiperi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID60467978 | BDA44451 | EN300-1243204 | RTEVQEDKZPFGNP-UHFFFAOYSA-N | Piperidine, 4-bromo-1-methyl- | SY005026 | P10148 | 4-bromo-1-methylpiperidine | A865483 | 4-BROMO-N-METHYL PIPERIDINE | AS-15062 | SCHEMBL7073887 | SB41040 | N-Methyl-4-bromopiperi

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488197574

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197574

Sorrisi canonici

CN1CCC(CC1)Br

IUPAC Name

4-bromo-1-methylpiperidine

InChIKey

RTEVQEDKZPFGNP-UHFFFAOYSA-N

INCHI

1S/C6H12BrN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3

Isomeri SMILES

CN1CCC(CC1)Br

Peso molecolare

178.08

Reaxy-Rn

635775

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635775&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Trialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with 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

Proprietà chimiche e fisiche

• Peso molecolare: 178.070 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.015 Da
• Monoisotopic Mass: 177.015 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 76444-51-4, the molecular formula is C6H12BrN, and the molecular weight is 178.08 g/mol. InChIKey RTEVQEDKZPFGNP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.