3-Pyrroline - ≥95% , CAS No.109-96-6

CAS: 109-96-6 Cat. No.: p103550 Fórmula: C₄H₇N Peso molecular: 69.11 Beilstein Registry Number: 103173 Número CE: 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

Visão geral

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528758396

Sorrisos canónicos

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

SMILES isoméricas

C1C=CCN1

WGK Alemanha

3

PubChem CID

66059

Número UN

2733

Peso molecular

69.11

Beilstein

103173

Reaxy-Rn

103173

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Fully misicble in water.
• Sensibilidade: Air Sensitive & Hygroscopic
• Índice de refração: 1.46
• Ponto de inflamação (°F): -.4 °F
• Ponto de inflamação (°C): -18 °C
• Ponto de ebulição (°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