19-Bromononadecanoic acid - ≥96% , CAS No.78774-38-6

CAS: 78774-38-6 Cat. No.: B340992 분자식: C₁₉H₃₇BrO₂ 분자량: 377.40 EC 번호: 816-323-2

등급 & 순도 ≥96%

Synonyms

DTXSID10370822 | 19-BROMONONADECANOICACID | FLMPHTLDVWMADF-UHFFFAOYSA-N | 19-bromononadecanoic Acid | BS-47396 | FT-0641692 | Nonadecanoic acid,19-bromo- | 19-bromo-nonadecanecarboxylic acid | SCHEMBL3485762 | MFCD00082606

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

A radiopharmaceutical precursor.

사양

동의어

DTXSID10370822 | 19-BROMONONADECANOICACID | FLMPHTLDVWMADF-UHFFFAOYSA-N | 19-bromononadecanoic Acid | BS-47396 | FT-0641692 | Nonadecanoic acid,19-bromo- | 19-bromo-nonadecanecarboxylic acid | SCHEMBL3485762 | MFCD00082606

사양 및 순도

≥96%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥96%

이름과 식별자

Pubchem Sid

504761261

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761261

정식 스마일

C(CCCCCCCCCBr)CCCCCCCCC(=O)O

IUPAC Name

19-bromononadecanoic acid

InChIKey

FLMPHTLDVWMADF-UHFFFAOYSA-N

INCHI

1S/C19H37BrO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18H2,(H,21,22)

이성체 SMILES

C(CCCCCCCCCBr)CCCCCCCCC(=O)O

분자량

377.40

Reaxy-Rn

1791198

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791198&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Halogenated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Halogenated fatty acid - Straight chain fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl halide - Organic oxide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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): 78-80° C
• 분자량: 377.400 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 376.198 Da
• Monoisotopic Mass: 376.198 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 231.000
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 78774-38-6, the molecular formula is C19H37BrO2, and the molecular weight is 377.40 g/mol. InChIKey FLMPHTLDVWMADF-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.