(R)-1-(3-Aminopyrrolidin-1-yl)ethanone hydrochloride - ≥95% , CAS No.1286208-55-6

CAS: 1286208-55-6 Cat. No.: R190462 Peso molecular: 164.63 Número EC: 817-644-0

GRADE & PURITY ≥95%

Synonyms

C72166 | (R)-1-(3-AMINOPYRROLIDIN-1-YL)ETHANONE HCL | EN300-311549 | MFCD17014273 | AKOS022186288 | DS-7816 | Ethanone, 1-[(3R)-3-amino-1-pyrrolidinyl]-, hydrochloride (1:1) | 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride | A921469 | (R)-1-(3-Amin

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

C72166 | (R)-1-(3-AMINOPYRROLIDIN-1-YL)ETHANONE HCL | EN300-311549 | MFCD17014273 | AKOS022186288 | DS-7816 | Ethanone, 1-[(3R)-3-amino-1-pyrrolidinyl]-, hydrochloride (1:1) | 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride | A921469 | (R)-1-(3-Amin

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)N1CCC(C1)N.Cl
• IUPAC Name: 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride
• InChIKey: NDNGPRLTQNOAMC-FYZOBXCZSA-N
• INCHI: 1S/C6H12N2O.ClH/c1-5(9)8-3-2-6(7)4-8;/h6H,2-4,7H2,1H3;1H/t6-;/m1./s1
• Isómeros SMILES: CC(=O)N1CC[C@H](C1)N.Cl
• Peso molecular: 164.63
• Reaxy-Rn: 38471715
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38471715&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides 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 - Amine - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 164.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.072 Da
• Monoisotopic Mass: 164.072 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

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