Pdp-EA - ≥99% , CAS No.861891-72-7

CAS: 861891-72-7 Cat. No.: P1283178 분자식: C₂₅H₄₃NO₃ 분자량: 405.61 EC 번호: 809-824-2 PubChem CID: 69724031

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

사양 및 순도

≥99%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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작업 유형

ACTIVATOR

순수함

≥99%

이름과 식별자

• 정식 스마일: CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NCCO
• IUPAC Name: N-(2-hydroxyethyl)-2-(3-pentadecylphenoxy)acetamide
• InChIKey: BIOVSNWTCKRADD-UHFFFAOYSA-N
• INCHI: 1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-24(21-23)29-22-25(28)26-19-20-27/h15,17-18,21,27H,2-14,16,19-20,22H2,1H3,(H,26,28)
• 이성체 SMILES: CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NCCO
• PubChem CID: 69724031
• 분자량: 405.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds N-acylethanolamines Alkyl aryl ethers Secondary carboxylic acid amides Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - N-acylethanolamine - Alkyl aryl ether - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Ether - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• 분자량: 405.600 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 405.324 Da
• Monoisotopic Mass: 405.324 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 375.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 861891-72-7, the molecular formula is C25H43NO3, and the molecular weight is 405.61 g/mol. InChIKey BIOVSNWTCKRADD-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.