2-Phenylpyrrolidine - ≥97% , CAS No.1006-64-0

CAS: 1006-64-0 Cat. No.: P345688 Summenformel: C₁₀H₁₃N Molekulargewicht: 147.22 EG-Nummer: 674-604-3

GRADE & PURITY ≥97%

Synonyms

BBL020911 | (RS)-2-phenyl-pyrrolidine | SY063719 | Z223138744 | AKOS000118067 | Oprea1_853234 | W-200630 | MFCD01631835 | SY001201 | JUTDHSGANMHVIC-UHFFFAOYSA-N | NoName_3649 | PS-3577 | AM20050516 | rac-2-phenylpyrrolidine | SB15998 | SY060796 | pyrrolid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

BBL020911 | (RS)-2-phenyl-pyrrolidine | SY063719 | Z223138744 | AKOS000118067 | Oprea1_853234 | W-200630 | MFCD01631835 | SY001201 | JUTDHSGANMHVIC-UHFFFAOYSA-N | NoName_3649 | PS-3577 | AM20050516 | rac-2-phenylpyrrolidine | SB15998 | SY060796 | pyrrolid

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488189124

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189124

Kanonisches Lächeln

C1CC(NC1)C2=CC=CC=C2

IUPAC Name

2-phenylpyrrolidine

InChIKey

JUTDHSGANMHVIC-UHFFFAOYSA-N

INCHI

1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2

Isomere SMILES

C1CC(NC1)C2=CC=CC=C2

Alternative CAS-Nummer

56586-12-0

Molekulargewicht

147.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Pyrroles Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyrrolidine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Flammpunkt (°C): 98 °C
• Siedepunkt (°C): 114° C at 7.5 mmHg
• Molekulargewicht: 147.220 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.105 Da
• Monoisotopic Mass: 147.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1006-64-0, the molecular formula is C10H13N, and the molecular weight is 147.22 g/mol. InChIKey JUTDHSGANMHVIC-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.