Nonadecanedioic Acid - ≥98%(T) , CAS No.6250-70-0

CAS: 6250-70-0 Cat. No.: N159849 Fórmula: C₁₉H₃₆O₄ Peso molecular: 328.49 Número CE: 678-303-8

GRAU & PUREZA ≥98%(T)

Synonyms

1,17-Heptadecanedicarboxylic Acid | SCHEMBL163715 | AKOS026673935 | N0663 | Nonadecane-1,19-dioic acid | SY055014 | 87WJ2SJA5M | MFCD00039536 | HY-W034596 | AMY033 | AS-57302 | DTXSID00978093 | A833813 | .OMEGA.-CARBOXYSTEARIC ACID | LMFA01170135 | CHEBI:

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

1,17-Heptadecanedicarboxylic Acid | SCHEMBL163715 | AKOS026673935 | N0663 | Nonadecane-1,19-dioic acid | SY055014 | 87WJ2SJA5M | MFCD00039536 | HY-W034596 | AMY033 | AS-57302 | DTXSID00978093 | A833813 | .OMEGA.-CARBOXYSTEARIC ACID | LMFA01170135 | CHEBI:

Especificações e pureza

≥98%(T)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(T)

Nomes e identificadores

Pubchem Sid

528770216

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770216

Sorrisos canónicos

C(CCCCCCCCC(=O)O)CCCCCCCCC(=O)O

IUPAC Name

nonadecanedioic acid

InChIKey

IFAWYXIHOVRGHQ-UHFFFAOYSA-N

INCHI

1S/C19H36O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h1-17H2,(H,20,21)(H,22,23)

SMILES isoméricas

C(CCCCCCCCC(=O)O)CCCCCCCCC(=O)O

Peso molecular

328.49

Reaxy-Rn

1713960

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1713960&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 328.500 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 328.261 Da
• Monoisotopic Mass: 328.261 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 261.000
• 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