3-Amino-3-azabicyclo[3.3.0]octane hydrochloride - ≥97% , CAS No.58108-05-7

CAS: 58108-05-7 Cat. No.: A124225 Peso molecular: 162.66 Número EC: 261-131-9

GRADE & PURITY ≥97%

Synonyms

3-amino-3-azabicyclo-[3,3,0] octane hydrochloride salt | AKOS016843692 | Hexahydrocyclopenta[c]pyrrol-2(1H)-amine hydrochloride | 3-Amino-3-azabicyclo[3.3.0]octane hydrochloride | Hexahydrocyclopenta[c]pyrrol-2(1H)-aminehydrochloride | 3-Amino-3-azabicycl

Storage

Room temperature

Shipped In

Normal

Descripción general

3-Amino-3-azabicyclo[3.3.0]octane hydrochloride is also referred to as N-amino-3-azabicyclo[3.3.0]octane monohydrochloride.

Specifications

Sinónimos

3-amino-3-azabicyclo-[3, 3, 0] octane hydrochloride salt | AKOS016843692 | Hexahydrocyclopenta[c]pyrrol-2(1H)-amine hydrochloride | 3-Amino-3-azabicyclo[3.3.0]octane hydrochloride | Hexahydrocyclopenta[c]pyrrol-2(1H)-aminehydrochloride | 3-Amino-3-azabicycl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199201
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199201
• Sonrisas canónicas: C1CC2CN(CC2C1)N.Cl
• IUPAC Name: 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride
• InChIKey: WPYNXKFLSQEEFE-UHFFFAOYSA-N
• INCHI: 1S/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H
• Isómeros SMILES: C1CC2CN(CC2C1)N.Cl
• WGK Alemania: 3
• Peso molecular: 162.66
• Reaxy-Rn: 5574544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5574544&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Azacyclic compounds Alkylhydrazines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pyrrolidine - Alkylhydrazine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Hydrazine derivative - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which 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

• Punto de fusión (°C): 170-174°C
• Peso molecular: 162.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.092 Da
• Monoisotopic Mass: 162.092 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Jie Liu, Youzhi Li, Kairuo Yan, Jinghua Han, Ziqi Wu, Ying Li.  (2025)  Exploring Reductive Stress as a Regulation Approach for Pseudomonas Aeruginosa Biofilm.  iScience,      [PMID:41362616] [10.1016/j.isci.2025.113973]