2,7-Diazaspiro[4.5]decan-1-onehydrochloride - ≥95% , CAS No.1187173-43-8

CAS: 1187173-43-8 Cat. No.: D179902 Peso molecular: 190.7 Número EC: 840-717-3

GRADE & PURITY ≥95%

Synonyms

2,7-Diazaspiro[4.5]decan-1-onehydrochloride | 2,7-diazaspiro[4.5]decan-1-one hydrochloride, AldrichCPR | YZBYELXEGPPFJI-UHFFFAOYSA-N | DTXSID90662893 | SB16218 | SY102170 | 2,7-Diazaspiro[4.5]decan-1-one hydrogen chloride | 2,7-Diaza-spiro[4.5]decan-1-one

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

2, 7-Diazaspiro[4.5]decan-1-onehydrochloride | 2, 7-diazaspiro[4.5]decan-1-one hydrochloride, AldrichCPR | YZBYELXEGPPFJI-UHFFFAOYSA-N | DTXSID90662893 | SB16218 | SY102170 | 2, 7-Diazaspiro[4.5]decan-1-one hydrogen chloride | 2, 7-Diaza-spiro[4.5]decan-1-one

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488201142
• Sonrisas canónicas: C1CC2(CCNC2=O)CNC1.Cl
• IUPAC Name: 2,9-diazaspiro[4.5]decan-1-one;hydrochloride
• InChIKey: YZBYELXEGPPFJI-UHFFFAOYSA-N
• INCHI: 1S/C8H14N2O.ClH/c11-7-8(3-5-10-7)2-1-4-9-6-8;/h9H,1-6H2,(H,10,11);1H
• Isómeros SMILES: C1CC2(CCNC2=O)CNC1.Cl
• Peso molecular: 190.7
• Reaxy-Rn: 22017472
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22017472&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 Beta amino acids and derivatives

• 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
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Azaspirodecane derivatives Pyrrolidine-2-ones Piperidines Secondary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Beta amino acid or derivatives - Azaspirodecane - Piperidine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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: 190.670 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.087 Da
• Monoisotopic Mass: 190.087 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• 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

XLogP3