3-(Diethylamino)pyrrolidine - ≥98% , CAS No.20984-81-0

CAS: 20984-81-0 Cat. No.: D155174 Molecular Weight: 142.25 EC Number: 678-103-0

GRADE & PURITY ≥98%

Synonyms

N,N-diethylpyrrolidin-3-amine | VAA98481 | XHOADYKJSBCVBJ-UHFFFAOYSA-N | FT-0715819 | [rac)-diethyl-pyrrolidin-3-yl-amine | [rac]-diethyl-pyrrolidin-3-yl-amine | diethyl-pyrrolidin-3-yl-amine | 3-diethylaminopyrrolidine | 3-diethylamino-pyrrolidine | 3-Py

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N, N-diethylpyrrolidin-3-amine | VAA98481 | XHOADYKJSBCVBJ-UHFFFAOYSA-N | FT-0715819 | [rac)-diethyl-pyrrolidin-3-yl-amine | [rac]-diethyl-pyrrolidin-3-yl-amine | diethyl-pyrrolidin-3-yl-amine | 3-diethylaminopyrrolidine | 3-diethylamino-pyrrolidine | 3-Py

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199765
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199765
• Canonical Smiles: CCN(CC)C1CCNC1
• IUPAC Name: N,N-diethylpyrrolidin-3-amine
• InChIKey: XHOADYKJSBCVBJ-UHFFFAOYSA-N
• INCHI: 1S/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3
• Isomeric SMILES: CCN(CC)C1CCNC1
• Molecular Weight: 142.25
• Reaxy-Rn: 385667
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385667&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: Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen 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

• Sensitivity: Air Sensitive
• Refractive Index: 1.47
• Flash Point(°C): 70 °C
• Boil Point(°C): 84°C/12mmHg(lit.)
• Molecular Weight: 142.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 142.147 Da
• Monoisotopic Mass: 142.147 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.300
• 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