Tetradecanedioic acid - 10mM in DMSO , CAS No.821-38-5

CAS: 821-38-5 Cat. No.: T426124 분자식: C₁₄H₂₆O₄ 분자량: 258.35 Beilstein Registry Number: 1788202 EC 번호: 212-476-9 PubChem CID: 13185

GRADE & PURITY 10mM in DMSO

Synonyms

1,12-DICARBOXYDODECANE | 1,12-Dodecanedicarboxylic acid | AS-14872 | Dodecamethylenedicarboxylic acid | tetradecanedioicacid | W-104185 | 1,12-Dodecanedicarboxylate | EN300-123432 | 1,14-Tetradecanedioic acid;Tetradecane-1,14-dioic acid;1,12-Dodecanedicar

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Mainly used in synthetic fragrances, synthetic high-grade engineering plastic nylon 1414, hot melt and coatings.

Specifications

동의어

1,12-DICARBOXYDODECANE | 1,12-Dodecanedicarboxylic acid | AS-14872 | Dodecamethylenedicarboxylic acid | tetradecanedioicacid | W-104185 | 1,12-Dodecanedicarboxylate | EN300-123432 | 1,14-Tetradecanedioic acid;Tetradecane-1,14-dioic acid;1,12-Dodecanedicar

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528770272

정식 스마일

C(CCCCCCC(=O)O)CCCCCC(=O)O

IUPAC Name

tetradecanedioic acid

InChIKey

HQHCYKULIHKCEB-UHFFFAOYSA-N

INCHI

1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)

이성체 SMILES

C(CCCCCCC(=O)O)CCCCCC(=O)O

WGK 독일

3

PubChem CID

13185

분자량

258.35

Beilstein

1788202

Reaxy-Rn

1788202

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: 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
• 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: 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

화학 및 물리적 특성

• 녹는점(°C): 126-128°C
• 분자량: 258.350 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.183 Da
• Monoisotopic Mass: 258.183 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 202.000
• 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