4-(2-Propyn-1-yl)morpholine - ≥98%(GC) , CAS No.5799-76-8

CAS: 5799-76-8 Cat. No.: P160764 分子式: C₇H₁₁NO 分子量: 125.17 EC番号: 611-607-0 PubChem CID: 412941

GRADE & PURITY ≥98%(GC)

Synonyms

AB06365 | EN300-70215 | P2170 | AS-19740 | 1-Morpholino-2-propyne | NoName_3505 | SCHEMBL1245983 | MFCD00510919 | STL555715 | 4-prop-2-ynylmorpholine | 4-Prop-2-ynyl-morpholine | AKOS000590865 | 3-(4-morpholinyl)-1-propyne | 4-(prop-2-yn-1-yl)morpholine |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

AB06365 | EN300-70215 | P2170 | AS-19740 | 1-Morpholino-2-propyne | NoName_3505 | SCHEMBL1245983 | MFCD00510919 | STL555715 | 4-prop-2-ynylmorpholine | 4-Prop-2-ynyl-morpholine | AKOS000590865 | 3-(4-morpholinyl)-1-propyne | 4-(prop-2-yn-1-yl)morpholine |

仕様と純度

≥98%(GC)

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

504758650

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504758650

カノニカル・スマイル

C#CCN1CCOCC1

IUPAC Name

4-prop-2-ynylmorpholine

InChIKey

OKDZHAQIKCVKFE-UHFFFAOYSA-N

INCHI

1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2

異性体SMILES

C#CCN1CCOCC1

PubChem CID

412941

分子量

125.17

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: Morpholines
• Alternative Parents: Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetylides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary amine - Tertiary aliphatic amine - Acetylide - Oxacycle - Azacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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

• 感度: air sensitive
• 屈折率: 1.48
• 引火点（°C）: 46 °C
• 沸点（°C）: 186°C(lit.)
• 分子量: 125.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.084 Da
• Monoisotopic Mass: 125.084 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5799-76-8, the molecular formula is C7H11NO, and the molecular weight is 125.17 g/mol. InChIKey OKDZHAQIKCVKFE-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.