Fluoral-P (=4-Amino-3-penten-2-one) [Fluorimetric reagent for aldehydes.] - ≥98%(GC)(T) , CAS No.1118-66-7

CAS: 1118-66-7 Cat. No.: F156686 Molecular Weight: 99.13 Beilstein Registry Number: 1209340 EC Number: 627-905-9

GRADE & PURITY ≥98%(GC)(T)

Synonyms

(3Z)-4-amino-3-penten-2-one | EN300-17013 | 4-Amino-3-penten-2-one | Z56858245 | 3-Penten-2-one, 4-amino-, (3Z)- | NSC44500 | Q27122715 | OSLAYKKXCYSJSF-ARJAWSKDSA-N | 4-aminopent-3-en-2-one | 3-Penten-2-one, 4-amino- | Acetylacetonamine | AKOS008967217 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Amines, Building Blocks, C2 to C5, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Nitrogen Compounds, Organic Building Blocks Less...

Specifications

Synonyms

(3Z)-4-amino-3-penten-2-one | EN300-17013 | 4-Amino-3-penten-2-one | Z56858245 | 3-Penten-2-one, 4-amino-, (3Z)- | NSC44500 | Q27122715 | OSLAYKKXCYSJSF-ARJAWSKDSA-N | 4-aminopent-3-en-2-one | 3-Penten-2-one, 4-amino- | Acetylacetonamine | AKOS008967217 |

Specifications & Purity

≥98%(GC)(T)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 504763680
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763680
• Canonical Smiles: CC(=CC(=O)C)N
• IUPAC Name: (Z)-4-aminopent-3-en-2-one
• InChIKey: OSLAYKKXCYSJSF-ARJAWSKDSA-N
• INCHI: 1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-
• Isomeric SMILES: C/C(=C/C(=O)C)/N
• WGK Germany: 3
• Molecular Weight: 99.13
• Beilstein: 1209340
• Reaxy-Rn: 1209344
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209344&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Vinylogous amides Acryloyl compounds Ketones Enamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Vinylogous amide - Enone - Acryloyl-group - Ketone - Enamine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• External Descriptors: 4-aminopent-3-en-2-one

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 sensitive, Air sensitive
• Boil Point(°C): 214℃（lit.）
• Melt Point(°C): 40~42℃
• Molecular Weight: 99.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 99.0684 Da
• Monoisotopic Mass: 99.0684 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 105.000
• 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