(2-Morpholinophenyl)methanamine - ≥97% , CAS No.204078-48-8

CAS: 204078-48-8 Cat. No.: M700914 分子式: C₁₁H₁₆N₂O 分子量: 192.26 EC番号: 800-969-7 PubChem CID: 2776563

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

仕様と純度

≥97%

保管条件

Room temperature

純度

≥97%

名前と識別子

• カノニカル・スマイル: C1COCCN1C2=CC=CC=C2CN
• IUPAC Name: (2-morpholin-4-ylphenyl)methanamine
• InChIKey: RNYURNUANACIKS-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-9,12H2
• 異性体SMILES: C1COCCN1C2=CC=CC=C2CN
• PubChem CID: 2776563
• 分子量: 192.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Phenylmethylamines Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 192.260 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.126 Da
• Monoisotopic Mass: 192.126 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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

よくある質問

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.

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

The CAS Number is 204078-48-8, the molecular formula is C11H16N2O, and the molecular weight is 192.26 g/mol. InChIKey RNYURNUANACIKS-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.