9-(2-Carboxy-2-cyanovinyl)julolidine - for fluorescence analysis, ≥97%(HPLC) , CAS No.142978-18-5

CAS: 142978-18-5 Cat. No.: C131104 Molecular Weight: 268.31 EC Number: 635-077-5

GRADE & PURITY for Fluorescence analysis, ≥97%(HPLC)

Synonyms

J-100084 | (E)-2-Cyano-3-(1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)acrylic acid | (2E)-3-{1-azatricyclo[7.3.1.0?,??]trideca-5,7,9(13)-trien-7-yl}-2-cyanoprop-2-enoic acid | 2-Ccvj | 9-([E]-2-Carboxy-2-cyanovinyl)julolidine CCVJ | SCHEMBL13428212

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

9-(2-Carboxy-2-cyanovinyl)julolidine is a fluorescent probe used for binding to proteins.
Fluorescent probe for binding to proteins etc., quantum yield increases by decreasing free rotation: fluorescent molecular rotor.

Specifications

Synonyms

J-100084 | (E)-2-Cyano-3-(1, 2, 3, 5, 6, 7-hexahydropyrido[3, 2, 1-ij]quinolin-9-yl)acrylic acid | (2E)-3-{1-azatricyclo[7.3.1.0?, ??]trideca-5, 7, 9(13)-trien-7-yl}-2-cyanoprop-2-enoic acid | 2-Ccvj | 9-([E]-2-Carboxy-2-cyanovinyl)julolidine CCVJ | SCHEMBL13428212

Specifications & Purity

for fluorescence analysis, ≥97%(HPLC)

Biochemical and Physiological Mechanisms

Fluorescent molecular rotor. Sensitive to viscosity.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

for Fluorescence analysis

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC2=CC(=CC3=C2N(C1)CCC3)C=C(C#N)C(=O)O
• IUPAC Name: (E)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoic acid
• InChIKey: JXENNHTVELFRHV-NTEUORMPSA-N
• INCHI: 1S/C16H16N2O2/c17-10-14(16(19)20)9-11-7-12-3-1-5-18-6-2-4-13(8-11)15(12)18/h7-9H,1-6H2,(H,19,20)/b14-9+
• Isomeric SMILES: C1CC2=CC(=CC3=C2N(C1)CCC3)/C=C(\C#N)/C(=O)O
• WGK Germany: 3
• Molecular Weight: 268.31
• Reaxy-Rn: 18860107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18860107&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Dialkylarylamines Aralkylamines Benzenoids Amino acids Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Benzenoid - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO, chloroform, and DMF. Insoluble in water.
• Sensitivity: Moisture & Light sensitive
• Molecular Weight: 268.310 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.121 Da
• Monoisotopic Mass: 268.121 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 456.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1