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

CAS: 5799-76-8 Cat. No.: P160764 Formule: C₇H₁₁NO Poids moléculaire: 125.17 Numéro CE: 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

Synonymes

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 |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504758650

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C#CCN1CCOCC1

PubChem CID

412941

Poids moléculaire

125.17

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: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Indice de réfraction: 1.48
• Point d'éclair (°C): 46 °C
• Point d'ébullition (°C): 186°C(lit.)
• Poids moléculaire: 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

Foire aux questions

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.