spiro[5.5]undecan-3-amine;hydrochloride - ≥97% , CAS No.2126-94-5

CAS: 2126-94-5 Cat. No.: S631735 EC Number: 816-857-6 PubChem CID: 21483274

GRADE & PURITY ≥97%

Synonyms

BDBM50462124 | spiro[5.5]undecan-3-amine;hydrochloride | PS-18308 | FT-0734633 | MFCD00034988 | spiro[5.5]undecan-3-amine hydrochloride | spiro[5.5]undecan-3-aminehydrochloride | SY158363 | E77419 | CAA12694 | 3-Aminospiro[5.5]undecane hydrochloride | Z18

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

BDBM50462124 | spiro[5.5]undecan-3-amine;hydrochloride | PS-18308 | FT-0734633 | MFCD00034988 | spiro[5.5]undecan-3-amine hydrochloride | spiro[5.5]undecan-3-aminehydrochloride | SY158363 | E77419 | CAA12694 | 3-Aminospiro[5.5]undecane hydrochloride | Z18

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CCC2(CC1)CCC(CC2)N.Cl
• IUPAC Name: spiro[5.5]undecan-3-amine;hydrochloride
• InChIKey: GGRJLXHNQKZAPJ-UHFFFAOYSA-N
• INCHI: 1S/C11H21N.ClH/c12-10-4-8-11(9-5-10)6-2-1-3-7-11;/h10H,1-9,12H2;1H
• Isomeric SMILES: C1CCC2(CC1)CCC(CC2)N.Cl
• Alternate CAS: 2126-94-5
• PubChem CID: 21483274

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Hydrochloride - Primary aliphatic amine - Aliphatic homopolycyclic compound
• Description: 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

Associated Targets(non-human)

M Influenza virus A matrix protein M2 (517 Activities)

Discover Target: M

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 203.750 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 203.144 Da
• Monoisotopic Mass: 203.144 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 137.000
• 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

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