4-(3-(3-Bromophenyl)propyl)morpholine - ≥95% , CAS No.1133116-11-6

CAS: 1133116-11-6 Cat. No.: B179526 Fórmula: C₁₃H₁₈BrNO Peso molecular: 284.2 Número CE: 801-716-3 PubChem CID: 46739426

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1651281 | BS-25111 | DTXSID60675031 | 4-[3-(3-bromophenyl)propyl]morpholine | MFCD11855932 | 1133116-11-6 | AKOS015834657 | 4-(3-(3-Bromophenyl)propyl)morpholine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL1651281 | BS-25111 | DTXSID60675031 | 4-[3-(3-bromophenyl)propyl]morpholine | MFCD11855932 | 1133116-11-6 | AKOS015834657 | 4-(3-(3-Bromophenyl)propyl)morpholine

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1COCCN1CCCC2=CC(=CC=C2)Br
• IUPAC Name: 4-[3-(3-bromophenyl)propyl]morpholine
• InChIKey: BRDFMYRGMMWEOR-UHFFFAOYSA-N
• INCHI: 1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2
• SMILES isoméricas: C1COCCN1CCCC2=CC(=CC=C2)Br
• PubChem CID: 46739426
• Peso molecular: 284.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropylamines
• Alternative Parents: Bromobenzenes Aralkylamines Morpholines Aryl bromides Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpropylamine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
• 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

• Peso molecular: 284.190 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 283.057 Da
• Monoisotopic Mass: 283.057 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 194.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% 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 1133116-11-6, the molecular formula is C13H18BrNO, and the molecular weight is 284.2 g/mol. InChIKey BRDFMYRGMMWEOR-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.