Heptadecanedioic Acid - ≥95% , CAS No.2424-90-0

CAS: 2424-90-0 Cat. No.: H157392 Fórmula: C₁₇H₃₂O₄ Peso molecular: 300.44 Beilstein Registry Number: 2(2)1871 Número CE: 680-034-6

GRADE & PURITY ≥95%

Synonyms

QCNWZROVPSVEJA-UHFFFAOYSA-N | AMY031 | MFCD00673439 | 1,15-Pentadecanedicarboxylic Acid | AKOS026673934 | DTXSID0074340 | AS-57541 | CHEBI:165386 | LMFA01170028 | 1,17-heptadecanedioic acid | SY054092 | Heptadecanedioic acid | H0972 | HEPTADECANEDIOICACID

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

QCNWZROVPSVEJA-UHFFFAOYSA-N | AMY031 | MFCD00673439 | 1,15-Pentadecanedicarboxylic Acid | AKOS026673934 | DTXSID0074340 | AS-57541 | CHEBI:165386 | LMFA01170028 | 1,17-heptadecanedioic acid | SY054092 | Heptadecanedioic acid | H0972 | HEPTADECANEDIOICACID

Especificações e pureza

≥95%

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

≥95%

Nomes e identificadores

Pubchem Sid

528770200

Sorrisos canónicos

C(CCCCCCCC(=O)O)CCCCCCCC(=O)O

IUPAC Name

heptadecanedioic acid

InChIKey

QCNWZROVPSVEJA-UHFFFAOYSA-N

INCHI

1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2,(H,18,19)(H,20,21)

SMILES isoméricas

C(CCCCCCCC(=O)O)CCCCCCCC(=O)O

Peso molecular

300.44

Beilstein

2(2)1871

Reaxy-Rn

1795415

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1795415&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: Dicarboxylic acids

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

• Ponto de fusão (°C): 121 °C
• Peso molecular: 300.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 300.23 Da
• Monoisotopic Mass: 300.23 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 238.000
• 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