1-Acetyl-3-aminopyrrolidine - ≥96% , CAS No.833483-45-7

CAS: 833483-45-7 Cat. No.: A186817 Molecular Weight: 128.17 EC Number: 862-714-6

GRADE & PURITY ≥96%

Synonyms

1-ACETYL-(3R)-3-PYRROLIDINAMINE | DTXSID20458968 | QTFVAHXVSVHNQR-UHFFFAOYSA-N | EN300-148199 | AS-31658 | 1-(3-Amino-pyrrolidin-1-yl)-ethanone | 1-(3-aminopyrrolidin-1-yl)ethanone | A864271 | J-504159 | SB45179 | 1-ACETYL-3-PYRROLIDINAMINE | 1-Acetyl-3-A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-ACETYL-(3R)-3-PYRROLIDINAMINE | DTXSID20458968 | QTFVAHXVSVHNQR-UHFFFAOYSA-N | EN300-148199 | AS-31658 | 1-(3-Amino-pyrrolidin-1-yl)-ethanone | 1-(3-aminopyrrolidin-1-yl)ethanone | A864271 | J-504159 | SB45179 | 1-ACETYL-3-PYRROLIDINAMINE | 1-Acetyl-3-A

Specifications & Purity

≥96%

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

≥96%

Names and Identifiers

• Pubchem Sid: 504766169
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766169
• Canonical Smiles: CC(=O)N1CCC(C1)N
• IUPAC Name: 1-(3-aminopyrrolidin-1-yl)ethanone
• InChIKey: QTFVAHXVSVHNQR-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O/c1-5(9)8-3-2-6(7)4-8/h6H,2-4,7H2,1H3
• Isomeric SMILES: CC(=O)N1CCC(C1)N
• Molecular Weight: 128.17
• Reaxy-Rn: 14338357
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14338357&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass N-acylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: N-acylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpyrrolidines
• Alternative Parents: Tertiary carboxylic acid amides Acetamides Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acylpyrrolidine - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine 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

• Molecular Weight: 128.169 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.095 Da
• Monoisotopic Mass: 128.095 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 124.000
• 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