2,5-Dimethylpyrrolidine, mixture of cis and trans - ≥93% , CAS No.3378-71-0

CAS: 3378-71-0 Cat. No.: D169683 Molecular Weight: 99.17 EC Number: 222-178-0

GRADE & PURITY ≥93%

Synonyms

J-507377 | MFCD00005254 | EINECS 222-178-0 | (2S,5S)-2,5-dimethyl-pyrrolidine | NSC49109 | NSC-49109 | UNII-C6EG1921F4 | (2RS,5RS)-2,5-dimethylpyrrolidine | AKOS000268626 | FT-0610479 | NSC 49109 | SB31037 | C6EG1921F4 | DTXSID80955362 | SB37020 | 2,5-Dim

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

J-507377 | MFCD00005254 | EINECS 222-178-0 | (2S, 5S)-2, 5-dimethyl-pyrrolidine | NSC49109 | NSC-49109 | UNII-C6EG1921F4 | (2RS, 5RS)-2, 5-dimethylpyrrolidine | AKOS000268626 | FT-0610479 | NSC 49109 | SB31037 | C6EG1921F4 | DTXSID80955362 | SB37020 | 2, 5-Dim

Specifications & Purity

≥93%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 504756299
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756299
• Canonical Smiles: CC1CCC(N1)C
• IUPAC Name: 2,5-dimethylpyrrolidine
• InChIKey: ZEBFPAXSQXIPNF-UHFFFAOYSA-N
• INCHI: 1S/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3
• Isomeric SMILES: CC1CCC(N1)C
• WGK Germany: 3
• Molecular Weight: 99.17
• Reaxy-Rn: 102564
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102564&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which 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

Chemical and Physical Properties

• Refractive Index: n20/D：1.4299
• Flash Point(°F): 44.6 °F
• Flash Point(°C): 7 °C
• Boil Point(°C): 105-106℃
• Molecular Weight: 99.170 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.1048 Da
• Monoisotopic Mass: 99.1048 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 53.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1