4-(3-(Bromomethyl)phenyl)morpholine - ≥95% , CAS No.1314884-51-9

CAS: 1314884-51-9 Cat. No.: B1305191 Formula: C₁₁H₁₄BrNO Peso molecolare: 256.14 PubChem CID: 101043342

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1COCCN1C2=CC=CC(=C2)CBr

IUPAC Name

4-[3-(bromomethyl)phenyl]morpholine

InChIKey

HLAQSTCAEQGBFD-UHFFFAOYSA-N

INCHI

1S/C11H14BrNO/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7,9H2

Isomeri SMILES

C1COCCN1C2=CC=CC(=C2)CBr

PubChem CID

101043342

Peso molecolare

256.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Benzyl bromides Aniline and substituted anilines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzyl bromide - Benzyl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Amine - Organic oxygen compound - Alkyl bromide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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: 256.140 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 255.026 Da
• Monoisotopic Mass: 255.026 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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

Domande frequenti

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.

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 1314884-51-9, the molecular formula is C11H14BrNO, and the molecular weight is 256.14 g/mol. InChIKey HLAQSTCAEQGBFD-UHFFFAOYSA-N.