2-Benzylmorpholine - Reagent grade , CAS No.131887-48-4

CAS: 131887-48-4 Cat. No.: B478666 分子式: C₁₁H₁₅NO 分子量: 177.24 EC番号: 108-525-8

GRADE & PURITY Reagent Grade

Synonyms

SCHEMBL659743 | SB39319 | Z1198184698 | (-)-2-Benzylmorpholine | SB44552 | VU0494908-1 | AKOS006330971 | XMB68718 | BS-49764 | F2189-0638 | Morpholine, 2-(phenylmethyl)-, (-)- | EN300-126612 | MFCD09055007 | 2-Benzylmorpholine | 2-BENZYL-MORPHOLINE | YZFC

Storage

Room temperature

Specifications

同義語

SCHEMBL659743 | SB39319 | Z1198184698 | (-)-2-Benzylmorpholine | SB44552 | VU0494908-1 | AKOS006330971 | XMB68718 | BS-49764 | F2189-0638 | Morpholine, 2-(phenylmethyl)-, (-)- | EN300-126612 | MFCD09055007 | 2-Benzylmorpholine | 2-BENZYL-MORPHOLINE | YZFC

仕様と純度

Reagent grade

保管条件

Room temperature

等級

Reagent Grade

名前と識別子

• カノニカル・スマイル: C1COC(CN1)CC2=CC=CC=C2
• IUPAC Name: 2-benzylmorpholine
• InChIKey: YZFCMGWCEXUGFX-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2
• 異性体SMILES: C1COC(CN1)CC2=CC=CC=C2
• 分子量: 177.24
• Reaxy-Rn: 4293078
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4293078&ln=

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 Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Oxazinane - Morpholine - Monocyclic benzene moiety - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - 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

• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 177.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.115 Da
• Monoisotopic Mass: 177.115 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 143.000
• 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