Behenamide - ≥75% , CAS No.3061-75-4

CAS: 3061-75-4 Cat. No.: B303391 분자식: C₂₂H₄₅NO 분자량: 339.6 EC 번호: 221-304-1

GRADE & PURITY ≥75%

Synonyms

J-018039 | CHEBI:165591 | FT-0634629 | BEHENAMIDE [INCI] | DTXSID7062821 | Behenamide | EINECS 221-304-1 | Docosanamide | D1007 | Crepasin | Kemamide B | Amide C22 | Phenolphthalein, 3',3'',5',5''-tetrabromo- | UNII-DI790A5561 | Docsoamide | MS-25178 | 5b

Storage

Room temperature

Shipped In

Normal

개요

Behenamides are primary fatty acid amides, which belong to fatty acyls subclass containing a carboxamide headgroup and an acyl tail with variable carbon length and unsaturation.
Behenamide may be used as a reference standard for the determination of behenamides in different biological samples by liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) in multiple reaction monitoring (MRM) mode.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Specifications

동의어

J-018039 | CHEBI:165591 | FT-0634629 | BEHENAMIDE [INCI] | DTXSID7062821 | Behenamide | EINECS 221-304-1 | Docosanamide | D1007 | Crepasin | Kemamide B | Amide C22 | Phenolphthalein, 3',3'',5',5''-tetrabromo- | UNII-DI790A5561 | Docsoamide | MS-25178 | 5b

사양 및 순도

≥75%

보관 조건

Room temperature

배송

Normal

순수함

≥75%

이름과 식별자

• Pubchem Sid: 488185273
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185273
• 정식 스마일: CCCCCCCCCCCCCCCCCCCCCC(=O)N
• IUPAC Name: docosanamide
• InChIKey: ORAWFNKFUWGRJG-UHFFFAOYSA-N
• INCHI: 1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N
• 분자량: 339.6
• Reaxy-Rn: 1792886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• 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

화학 및 물리적 특성

• 녹는점(°C): 111 °C
• 분자량: 339.600 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 20
• Exact Mass: 339.35 Da
• Monoisotopic Mass: 339.35 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 252.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥75% purity (chemical assay). 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 3061-75-4, the molecular formula is C22H45NO, and the molecular weight is 339.6 g/mol. InChIKey ORAWFNKFUWGRJG-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.