1,8-Diaminooctane - ≥98% , CAS No.373-44-4

CAS: 373-44-4 Cat. No.: D106924 Fórmula: C₈H₂₀N₂ Peso molecular: 144.26 Beilstein Registry Number: 1735426 Número CE: 206-764-3

GRAU & PUREZA ≥98%

Synonyms

SCHEMBL35706 | 1-8-diaminooctane | Octamethylenediamine | BBL037236 | 1,8-DIAMINOOCTANE; OCTAMETHYLENEDIAMINE; 1,8-OCTANEDIAMINE | 1,8-Octamethylenediamine | AS-14372 | octane-1,8-diamine | 27ADC60C-8497-49F5-9025-5A855BA566E6 | EINECS 206-764-3 | STL4956

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Visão geral

1,8-Diaminooctane is generally used as crosslinker or spacer during the synthesis of variety of molecular cages, macrocycles and microporous materials.

Especificações

Sinónimos

SCHEMBL35706 | 1-8-diaminooctane | Octamethylenediamine | BBL037236 | 1,8-DIAMINOOCTANE; OCTAMETHYLENEDIAMINE; 1,8-OCTANEDIAMINE | 1,8-Octamethylenediamine | AS-14372 | octane-1,8-diamine | 27ADC60C-8497-49F5-9025-5A855BA566E6 | EINECS 206-764-3 | STL4956

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged,Desiccated

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488182869

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182869

Sorrisos canónicos

C(CCCCN)CCCN

IUPAC Name

octane-1,8-diamine

InChIKey

PWGJDPKCLMLPJW-UHFFFAOYSA-N

INCHI

1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

SMILES isoméricas

C(CCCCN)CCCN

WGK Alemanha

2

RTECS

RG8841500

Número UN

3259

Peso molecular

144.26

Beilstein

1735426

Reaxy-Rn

1735426

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735426&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• External Descriptors: a small molecule

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

Alvos associados (humanos)

PAOX Tchem Polyamine oxidase (84 Activities)

Discover Target: PAOX

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

DU-145 (51482 Activities)

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K562 (73714 Activities)

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MCF7 (126967 Activities)

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U-251 (51189 Activities)

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Alvos associados (não humanos)

Mycobacterium tuberculosis (203094 Activities)

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CHO (4503 Activities)

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L1210 (27553 Activities)

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J774 (3120 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (575 mg/ml at 20° C).
• Sensibilidade: Light & Moisture &Air sensitive.
• Ponto de inflamação (°F): 222.8 °F
• Ponto de inflamação (°C): 106℃
• Ponto de ebulição (°C): 225-226°C
• Ponto de fusão (°C): 50-54°C
• Peso molecular: 144.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 144.163 Da
• Monoisotopic Mass: 144.163 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 47.200
• 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: 1

Perguntas frequentes

How should this product be stored?

Store at room temperature, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.