4,4'-Azobis(4-cyanovaleric acid)（ACVA） - ≥98%, 20% Water , CAS No.2638-94-0

CAS: 2638-94-0 Cat. No.: A106307 Molecular Weight: 280.28 Beilstein Registry Number: 1729856 EC Number: 220-135-0

GRADE & PURITY ≥98%, 20% Water

Synonyms

4,4'-(Diazene-1,2-diyl)bis(4-cyanopentanoic acid) | 4,4'-Azobis(4-cyanopentanoic acid) | Azobis(cyanovaleric acid) | Pentanoic acid, 4,4'-azobis[4-cyano- | ACVA | 4,4'-Azobis(4-cyanovaleric acid) | 4,4'-azobis-(4-cyanovaleric acid) | 4,4-Azobis(4-cyanova

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4, 4'-(Diazene-1, 2-diyl)bis(4-cyanopentanoic acid) | 4, 4'-Azobis(4-cyanopentanoic acid) | Azobis(cyanovaleric acid) | Pentanoic acid, 4, 4'-azobis[4-cyano- | ACVA | 4, 4'-Azobis(4-cyanovaleric acid) | 4, 4'-azobis-(4-cyanovaleric acid) | 4, 4-Azobis(4-cyanova

Specifications & Purity

≥98%, 20% Water

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CCC(=O)O)(C#N)N=NC(C)(CCC(=O)O)C#N
• IUPAC Name: 4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid
• InChIKey: VFXXTYGQYWRHJP-UHFFFAOYSA-N
• INCHI: 1S/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)
• Isomeric SMILES: CC(CCC(=O)O)(C#N)N=NC(C)(CCC(=O)O)C#N
• WGK Germany: 2
• RTECS: YV6190500
• UN Number: 1325
• Molecular Weight: 280.28
• Beilstein: 1729856
• Reaxy-Rn: 3689076
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3689076&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Methyl-branched fatty acids Dicarboxylic acids and derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma amino acid or derivatives - Branched fatty acid - Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Carboxylic acid - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• 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

Chemical and Physical Properties

• Sensitivity: heat and light sensitive
• Melt Point(°C): 118-125°C
• Molecular Weight: 280.280 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 280.117 Da
• Monoisotopic Mass: 280.117 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 466.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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