1,7-Phenanthroline - ≥99% , CAS No.230-46-6

CAS: 230-46-6 Cat. No.: P119923 Molecular Weight: 180.21 EC Number: 625-267-6

GRADE & PURITY ≥99%

Synonyms

J-014955 | 5Y778HQU2S | Z1255382959 | NSC 35679 | AC-907/25014295 | LS-14041 | Opera_ID_785 | 1,5-DIAZAPHENANTHRENE | 1,7-Phenanthroline | CCRIS 7840 | Phenanthrolines | MLS001178434 | OZKOMUDCMCEDTM-UHFFFAOYSA-N | CHEBI:36418 | NSC35679 | NSC-35679 | Q27

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

1,7-Phenanthroline has inhibitory effect on germination and growth of plants. 1,7-Phenanthroline is an aza-analog of phenanthrene, was found to be mutagenic in the Ames test using Salmonella typhimurium TA100 in the presence of a rat liver S9 fraction. Supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid with 1,7-phenanthroline (aza donor molecule) were investigated.

Specifications

Synonyms

J-014955 | 5Y778HQU2S | Z1255382959 | NSC 35679 | AC-907/25014295 | LS-14041 | Opera_ID_785 | 1, 5-DIAZAPHENANTHRENE | 1, 7-Phenanthroline | CCRIS 7840 | Phenanthrolines | MLS001178434 | OZKOMUDCMCEDTM-UHFFFAOYSA-N | CHEBI:36418 | NSC35679 | NSC-35679 | Q27

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488183935
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183935
• Canonical Smiles: C1=CC2=C(C3=C(C=C2)N=CC=C3)N=C1
• IUPAC Name: 1,7-phenanthroline
• InChIKey: OZKOMUDCMCEDTM-UHFFFAOYSA-N
• INCHI: 1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H
• Isomeric SMILES: C1=CC2=C(C3=C(C=C2)N=CC=C3)N=C1
• WGK Germany: 3
• Molecular Weight: 180.21
• Reaxy-Rn: 4759
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4759&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Quinolines and derivatives Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,7-phenanthroline - Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
• External Descriptors: phenanthroline

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

Associated Targets(Human)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 77-81°C
• Molecular Weight: 180.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.069 Da
• Monoisotopic Mass: 180.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• 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