2-Adamantylamine hydrochloride - ≥98% , CAS No.10523-68-9

CAS: 10523-68-9 Cat. No.: A113976 Peso molecular: 187.71 Beilstein Registry Number: 4297901 Número EC: 234-074-2

GRADE & PURITY ≥98%

Synonyms

2-Aminoadamantane hydrochloride; Tricyclo[3.3.1.1(3.7)]dec-2-ylamine hydrochloride;Adamantan-2-amine hydrochloride | AKOS017343998 | MFCD00074743 | A0718 | Adamantan-2-amine HCl | AKOS000104803 | SY011241 | W-204551 | 2-adamantan amine HCl | 2-Adamantylam

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Description

The HPLC assay of 2-adamantylamine hydrochloride after pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole has been studied.

Product Application

2-Adamantylamine hydrochloride was used to prepare 2-adamantylamide of 2'-(carboxymethoxime)-olivomycin I. The HPLC assay of 2-adamantylamine hydrochloride after pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole has been studied. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Specifications

Sinónimos

2-Aminoadamantane hydrochloride; Tricyclo[3.3.1.1(3.7)]dec-2-ylamine hydrochloride;Adamantan-2-amine hydrochloride | AKOS017343998 | MFCD00074743 | A0718 | Adamantan-2-amine HCl | AKOS000104803 | SY011241 | W-204551 | 2-adamantan amine HCl | 2-Adamantylam

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182961
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182961
• Sonrisas canónicas: C1C2CC3CC1CC(C2)C3N.Cl
• IUPAC Name: adamantan-2-amine;hydrochloride
• InChIKey: WLDWDRZITJEWRJ-UHFFFAOYSA-N
• INCHI: 1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H
• Isómeros SMILES: C1C2CC3CC1CC(C2)C3N.Cl
• WGK Alemania: 3
• RTECS: AU4375100
• Peso molecular: 187.71
• Beilstein: 4297901
• Reaxy-Rn: 4297901
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4297901&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary aliphatic amine - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• 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

Objetivos asociados (humanos)

HEK293 (82097 Activities)

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Candida albicans (78123 Activities)

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H2N2 subtype (35 Activities)

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Grin1 Glutamate NMDA receptor (6467 Activities)

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M Matrix protein 2 (436 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Punto de fusión (°C): 300°C
• Peso molecular: 187.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.113 Da
• Monoisotopic Mass: 187.113 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

XLogP3

Referencias

1. Yahui Zhang, Haifeng Yao, Yongping Dong.  (2023)  Electrochemiluminescence of an iridium complex doped with SiO2 nanoparticles to detect 2-adamantanamine based on the host–guest interaction of cucurbit[7]uril.  ANALYST,  149  (4): (1160-1168).  [PMID:38167663] [10.1039/D3AN02021E]