Undecanenitrile - ≥97%(GC) , CAS No.2244-07-7

CAS: 2244-07-7 Cat. No.: U162919 Formula: C₁₁H₂₁N Molecular Weight: 167.3 Beilstein Registry Number: 3(2)860 EC Number: 218-826-7 PubChem CID: 16722

GRADE & PURITY ≥97%(GC)

Synonyms

D92761 | EINECS 218-826-7 | BQC7C2WO2K | hendecanenitrile | UNDECANENITRILE | n-Undecanonitrile | Undecanonitrile | UNII-BQC7C2WO2K | AKOS009159057 | Q63399664 | n-undecanenitrile | Undecanoic acid nitrile | NSC4026 | NSC-4026 | n-Decyl cyanide | 1-DECYL

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D92761 | EINECS 218-826-7 | BQC7C2WO2K | hendecanenitrile | UNDECANENITRILE | n-Undecanonitrile | Undecanonitrile | UNII-BQC7C2WO2K | AKOS009159057 | Q63399664 | n-undecanenitrile | Undecanoic acid nitrile | NSC4026 | NSC-4026 | n-Decyl cyanide | 1-DECYL

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488182288
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182288
• Canonical Smiles: CCCCCCCCCCC#N
• IUPAC Name: undecanenitrile
• InChIKey: SZKKNEOUHLFYNA-UHFFFAOYSA-N
• INCHI: 1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
• Isomeric SMILES: CCCCCCCCCCC#N
• PubChem CID: 16722
• Molecular Weight: 167.3
• Beilstein: 3(2)860
• Reaxy-Rn: 1702758

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Moisture sensitive
• Refractive Index: 1.43
• Boil Point(°C): 129°C/11mmHg(lit.)
• Molecular Weight: 167.290 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 167.167 Da
• Monoisotopic Mass: 167.167 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 120.000
• 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: 1

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 2244-07-7, the molecular formula is C11H21N, and the molecular weight is 167.3 g/mol. InChIKey SZKKNEOUHLFYNA-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.