4-Aminopyrrolidin-2-one hydrochloride - ≥97% , CAS No.167465-93-2

CAS: 167465-93-2 Cat. No.: A587603 Molecular Weight: 136.58 EC Number: 840-668-8

GRADE & PURITY ≥97%

Synonyms

FT-0767833 | AMY34929 | A882242 | MFCD20257112 | EN300-127487 | DTXSID40736396 | MFCD11519397 | 4-aminopyrrolidin-2-one hydrochloride | 4-aminopyrrolidin-2-one;hydrochloride | Dodecyl-tetraethyleneoxide ether | InChI=1/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FT-0767833 | AMY34929 | A882242 | MFCD20257112 | EN300-127487 | DTXSID40736396 | MFCD11519397 | 4-aminopyrrolidin-2-one hydrochloride | 4-aminopyrrolidin-2-one;hydrochloride | Dodecyl-tetraethyleneoxide ether | InChI=1/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

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: C1C(CNC1=O)N.Cl
• IUPAC Name: 4-aminopyrrolidin-2-one;hydrochloride
• InChIKey: MTMHDNYPPBTWER-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O.ClH/c5-3-1-4(7)6-2-3;/h3H,1-2,5H2,(H,6,7);1H
• Isomeric SMILES: C1C(CNC1=O)N.Cl
• Alternate CAS: 167465-93-2
• Molecular Weight: 136.58
• Reaxy-Rn: 13838692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13838692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Amine - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

• Molecular Weight: 136.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.04 Da
• Monoisotopic Mass: 136.04 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 91.700
• 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: 2

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