1,5,9-Triazacyclododecane - ≥95%(GC) , CAS No.294-80-4

CAS: 294-80-4 Cat. No.: T162091 Fórmula: C₉H₂₁N₃ Peso molecular: 171.29 Número CE: 636-705-0 PubChem CID: 470778

GRADE & PURITY ≥95%(GC)

Synonyms

1,5,9-Triazacyclododecane | D77670 | FT-0631903 | BS-43973 | SCHEMBL316126 | MFCD00013325 | [12]anen3 | ent-16beta,17-Dihydroxy-19-kauranoicacid | IPS101 | J-017539 | AKOS015854515 | T1876 | VQFZKDXSJZVGDA-UHFFFAOYSA-N | 4,8,12-triazacyclododecan | 294-80

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1,5,9-Triazacyclododecane | D77670 | FT-0631903 | BS-43973 | SCHEMBL316126 | MFCD00013325 | [12]anen3 | ent-16beta,17-Dihydroxy-19-kauranoicacid | IPS101 | J-017539 | AKOS015854515 | T1876 | VQFZKDXSJZVGDA-UHFFFAOYSA-N | 4,8,12-triazacyclododecan | 294-80

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

Sorrisos canónicos

C1CNCCCNCCCNC1

IUPAC Name

1,5,9-triazacyclododecane

InChIKey

VQFZKDXSJZVGDA-UHFFFAOYSA-N

INCHI

1S/C9H21N3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h10-12H,1-9H2

SMILES isoméricas

C1CNCCCNCCCNC1

PubChem CID

470778

Peso molecular

171.29

Reaxy-Rn

636026

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Ponto de ebulição (°C): 78 °C/3 mmHg
• Ponto de fusão (°C): 36 °C
• Peso molecular: 171.280 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 171.174 Da
• Monoisotopic Mass: 171.174 Da
• Topological Polar Surface Area: 36.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 70.800
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 294-80-4, the molecular formula is C9H21N3, and the molecular weight is 171.29 g/mol. InChIKey VQFZKDXSJZVGDA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.