2-Methoxy-1-pyrrolidine - ≥97% , CAS No.5264-35-7

CAS: 5264-35-7 Cat. No.: M193756 Molecular Weight: 99.13 EC Number: 671-815-2

GRADE & PURITY ≥97%

Synonyms

AKOS000269287 | FT-0747173 | NSC601819 | NSC-601819 | O11464 | 5-methoxy-3,4-dihydro-2H-pyrrole | 2-Methoxy-1-pyrroline stabilized with Potassium hydroxide | A829180 | FT-0645438 | F1905-7237 | 2-Methoxy-1-pyrroline | DTXSID90326564 | Z147641734 | 2-metho

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

AKOS000269287 | FT-0747173 | NSC601819 | NSC-601819 | O11464 | 5-methoxy-3, 4-dihydro-2H-pyrrole | 2-Methoxy-1-pyrroline stabilized with Potassium hydroxide | A829180 | FT-0645438 | F1905-7237 | 2-Methoxy-1-pyrroline | DTXSID90326564 | Z147641734 | 2-metho

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=NCCC1
• IUPAC Name: 5-methoxy-3,4-dihydro-2H-pyrrole
• InChIKey: QYGNDKJRRNVSEC-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-4H2,1H3
• Isomeric SMILES: COC1=NCCC1
• Molecular Weight: 99.13
• Reaxy-Rn: 105470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105470&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboximidic acids and derivatives
      • Subclass Imidoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboximidic acids and derivatives
• Subclass: Imidoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidolactones
• Alternative Parents: Pyrrolines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidolactone - Pyrroline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidolactones. These are cyclic organooxygen compounds with the general structure R(=N)OR' where the central carbon atom is part of a ring, and R,R' = organyl group.
• 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: Light sensitive
• Molecular Weight: 99.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 99.0684 Da
• Monoisotopic Mass: 99.0684 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.100
• 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