3-Aminopyrrolidine - ≥98%(GC) , CAS No.79286-79-6

CAS: 79286-79-6 Cat. No.: A139276 Molecular Weight: 86.14 EC Number: 672-741-3

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS009159382 | SB44695 | A839637 | DTXSID10869408 | FT-0600346 | SY020392 | MFCD00059018 | STK503626 | (R)-(+)-3-Aminopyrrolidine | STR08645 | (3RS)-3-aminopyrrolidine | FT-0642828 | MFCD00143190 | FT-0604729 | DTXSID70276538 | 3-Pyrrolidinamine # | A990

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS009159382 | SB44695 | A839637 | DTXSID10869408 | FT-0600346 | SY020392 | MFCD00059018 | STK503626 | (R)-(+)-3-Aminopyrrolidine | STR08645 | (3RS)-3-aminopyrrolidine | FT-0642828 | MFCD00143190 | FT-0604729 | DTXSID70276538 | 3-Pyrrolidinamine # | A990

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1CNCC1N
• IUPAC Name: pyrrolidin-3-amine
• InChIKey: NGXSWUFDCSEIOO-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2
• Isomeric SMILES: C1CNCC1N
• Molecular Weight: 86.14
• Reaxy-Rn: 3600403
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3600403&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 Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - 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: Moisture sensitive
• Refractive Index: 1.49
• Flash Point(°C): 34 °C
• Molecular Weight: 86.140 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.0844 Da
• Monoisotopic Mass: 86.0844 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.800
• 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