1,11-Diaminoundecane - ≥98% , CAS No.822-08-2

CAS: 822-08-2 Cat. No.: D154912 Fórmula: C₁₁H₂₆N₂ Peso molecular: 186.34 Número CE: 212-486-3

GRADE & PURITY ≥98%

Synonyms

DTXSID0061169 | UNII-TY337ZST6U | EINECS 212-486-3 | undecane-1,11-diamine | SCHEMBL26240 | 1,11-Undecanediamine | SY052588 | TY337ZST6U | 1,11-Undecanediamine, AldrichCPR | Undecamethylenediamine | D2075 | AS-58795 | FT-0653774 | H11741 | NSC59818 | NSC-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID0061169 | UNII-TY337ZST6U | EINECS 212-486-3 | undecane-1,11-diamine | SCHEMBL26240 | 1,11-Undecanediamine | SY052588 | TY337ZST6U | 1,11-Undecanediamine, AldrichCPR | Undecamethylenediamine | D2075 | AS-58795 | FT-0653774 | H11741 | NSC59818 | NSC-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528753548

Sorrisos canónicos

C(CCCCCN)CCCCCN

IUPAC Name

undecane-1,11-diamine

InChIKey

KLNPWTHGTVSSEU-UHFFFAOYSA-N

INCHI

1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2

SMILES isoméricas

C(CCCCCN)CCCCCN

Peso molecular

186.34

Reaxy-Rn

1741065

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741065&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: 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

Alvos associados (não humanos)

Mycobacterium tuberculosis (203094 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Ponto de ebulição (°C): 152 °C/10 mmHg
• Ponto de fusão (°C): 45 °C
• Peso molecular: 186.340 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 186.21 Da
• Monoisotopic Mass: 186.21 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 74.200
• 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