1-Pyrenebutyric hydrazide - ≥97% , CAS No.55486-13-0

CAS: 55486-13-0 Cat. No.: P121469 Molecular Weight: 302.37 EC Number: 688-231-9

GRADE & PURITY ≥97%

Synonyms

1-Pyrenebutanoic acid,hydrazide | 4-(1-pyrenyl)butyrohydrazide | AKOS015893943 | Pyrenebutyrylhydrazine | 1-Pyrenebutanoic acid, hydrazide | 4-(1-Pyrenyl)butyric hydrazide | DTXSID80204064 | LCZC292 | (1-Pyrenyl)butyrl hydrazide | 4-pyren-1-ylbutanehydraz

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-Pyrenebutanoic acid, hydrazide | 4-(1-pyrenyl)butyrohydrazide | AKOS015893943 | Pyrenebutyrylhydrazine | 1-Pyrenebutanoic acid, hydrazide | 4-(1-Pyrenyl)butyric hydrazide | DTXSID80204064 | LCZC292 | (1-Pyrenyl)butyrl hydrazide | 4-pyren-1-ylbutanehydraz

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NN
• IUPAC Name: 4-pyren-1-ylbutanehydrazide
• InChIKey: SOPPDVMSOKMZOC-UHFFFAOYSA-N
• INCHI: 1S/C20H18N2O/c21-22-18(23)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6,21H2,(H,22,23)
• Isomeric SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NN
• WGK Germany: 3
• Molecular Weight: 302.37
• Reaxy-Rn: 9651638
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9651638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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: light sensitive
• Melt Point(°C): 167-171°C
• Molecular Weight: 302.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 302.142 Da
• Monoisotopic Mass: 302.142 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 437.000
• 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