3-Pyrroline - ≥95% , CAS No.109-96-6

CAS: 109-96-6 Cat. No.: p103550 Peso molecular: 69.11 Beilstein Registry Number: 103173 Número EC: 203-723-1 PubChem CID: 66059

GRADE & PURITY ≥95%

Synonyms

3-PYRROLINE [MI] | 2,5-Dihydro-1H-pyrrole | DTXSID4059380 | FT-0616379 | NSC89295 | NSC-89295 | 2,5-dihydro pyrrole | STK503772 | 2,5-Dihydrpyrrole | 2,5-Dihydro-1H-pyrrole # | 3-pyrroline (contains pyrrolidine) | UNII-N0KYF81SDY | P0577 | W-108701 | 1H-P

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

3-Pyrroline is suitable for use in a study to investigate the core-level binding energies of simple unsaturated organic molecules bonded to the Si(001) surface by X-ray photoelectron spectroscopy (XPS). It may be used in the synthesis of renin inhibitors and vasodilators.

Specifications

Sinónimos

3-PYRROLINE [MI] | 2, 5-Dihydro-1H-pyrrole | DTXSID4059380 | FT-0616379 | NSC89295 | NSC-89295 | 2, 5-dihydro pyrrole | STK503772 | 2, 5-Dihydrpyrrole | 2, 5-Dihydro-1H-pyrrole # | 3-pyrroline (contains pyrrolidine) | UNII-N0KYF81SDY | P0577 | W-108701 | 1H-P

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C=CCN1
• IUPAC Name: 2,5-dihydro-1H-pyrrole
• InChIKey: JVQIKJMSUIMUDI-UHFFFAOYSA-N
• INCHI: 1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
• Isómeros SMILES: C1C=CCN1
• WGK Alemania: 3
• PubChem CID: 66059
• Número ONU: 2733
• Peso molecular: 69.11
• Beilstein: 103173
• Reaxy-Rn: 103173

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrroline - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
• External Descriptors: pyrroline

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

Propiedades químicas y físicas

• Solubilidad: Fully misicble in water.
• Sensibilidad: Air Sensitive & Hygroscopic
• Índice de refracción: 1.46
• Punto de inflamación (°F): -.4 °F
• Punto de inflamación (°C): -18 °C
• Punto de ebullición (°C): 90-91°C/748mmHg
• Peso molecular: 69.110 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 69.0578 Da
• Monoisotopic Mass: 69.0578 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 41.600
• 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