3-amino-1-methylpiperidin-2-one hydrochloride - ≥97% , CAS No.1422130-18-4

CAS: 1422130-18-4 Cat. No.: A174116 Peso molecular: 164.63 Número EC: 850-783-5

GRADE & PURITY ≥97%

Synonyms

(S)-3-Amino-1-methyl-2-piperidone Hydrochloride | SCHEMBL2458097 | SY036742 | 3-amino-1-methylpiperidin-2-onehydrochloride | 3-Amino-1-methyl-piperidin-2-one hydrochloride | 3-amino-1-methylpiperidin-2-one hydrochloride | AKOS025290207 | AS-34568 | EN300-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-3-Amino-1-methyl-2-piperidone Hydrochloride | SCHEMBL2458097 | SY036742 | 3-amino-1-methylpiperidin-2-onehydrochloride | 3-Amino-1-methyl-piperidin-2-one hydrochloride | 3-amino-1-methylpiperidin-2-one hydrochloride | AKOS025290207 | AS-34568 | EN300-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CN1CCCC(C1=O)N.Cl
• IUPAC Name: 3-amino-1-methylpiperidin-2-one;hydrochloride
• InChIKey: HHUWUTGRVZJMSM-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O.ClH/c1-8-4-2-3-5(7)6(8)9;/h5H,2-4,7H2,1H3;1H
• Isómeros SMILES: CN1CCCC(C1=O)N.Cl
• Peso molecular: 164.63
• Reaxy-Rn: 23415628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23415628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Piperidinones Delta lactams N-acyl amines Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Piperidinone - Delta-lactam - Piperidine - N-acyl-amine - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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: 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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