4-Morpholineethanol, alpha-phenyl- , CAS No.4432-34-2

CAS: 4432-34-2 Cat. No.: M1366901 EC番号: 654-449-8 PubChem CID: 20491

Storage

Room temperature

Shipped In

Normal

Specifications

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: C1COCCN1CC(C2=CC=CC=C2)O
• IUPAC Name: 2-morpholin-4-yl-1-phenylethanol
• InChIKey: CKCUWHAMJDWXOH-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO2/c14-12(11-4-2-1-3-5-11)10-13-6-8-15-9-7-13/h1-5,12,14H,6-10H2
• 異性体SMILES: C1COCCN1CC(C2=CC=CC=C2)O
• 代替CAS番号: 4432-34-2
• PubChem CID: 20491
• NSC番号: 400611

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Morpholines Benzene and substituted derivatives Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

化学的性質と物理的性質

• 分子量: 207.270 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.126 Da
• Monoisotopic Mass: 207.126 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 174.000
• 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