Dipentylamine acetate solution - 0.5mol/L in Water , CAS No.211676-91-4

CAS: 211676-91-4 Cat. No.: D357434 分子式: C₁₂H₂₇NO₂ 分子量: 217.35

GRADE & PURITY 0.5mol/L in Water

Synonyms

Dipentylamineacetate | AKOS025294902 | Dipentylamine acetate | J-013892 | acetic acid;N-pentylpentan-1-amine | Acetic acid--N-pentylpentan-1-amine (1/1) | Diamylammonium Acetate (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] | MFCD03093618 | DTXSID7

Storage

Room temperature

Shipped In

Normal

概要

Dipentylamine acetate solution is an ion pair reagent for HPLC/MS.

Specifications

同義語

Dipentylamineacetate | AKOS025294902 | Dipentylamine acetate | J-013892 | acetic acid;N-pentylpentan-1-amine | Acetic acid--N-pentylpentan-1-amine (1/1) | Diamylammonium Acetate (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] | MFCD03093618 | DTXSID7

仕様と純度

0.5mol/L in Water

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: CCCCCNCCCCC.CC(=O)O
• IUPAC Name: acetic acid;N-pentylpentan-1-amine
• InChIKey: IPBJPAHGLXFUDS-UHFFFAOYSA-N
• INCHI: 1S/C10H23N.C2H4O2/c1-3-5-7-9-11-10-8-6-4-2;1-2(3)4/h11H,3-10H2,1-2H3;1H3,(H,3,4)
• 異性体SMILES: CCCCCNCCCCC.CC(=O)O
• 分子量: 217.35
• Reaxy-Rn: 7943810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7943810&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Quaternary ammonium salt - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Amine - Organic cation - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl 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

化学的性質と物理的性質

• 分子量: 217.350 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 217.204 Da
• Monoisotopic Mass: 217.204 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 84.900
• 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

XLogP3

よくある質問

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 211676-91-4, the molecular formula is C12H27NO2, and the molecular weight is 217.35 g/mol. InChIKey IPBJPAHGLXFUDS-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.