5-Methyl-1,10-phenanthroline - ≥98% , CAS No.3002-78-6

CAS: 3002-78-6 Cat. No.: M119920 Molecular Weight: 194.23 Beilstein Registry Number: 23(3/4)1714 EC Number: 221-099-9

GRADE & PURITY ≥98%

Synonyms

SMSSF-0625532 | EINECS 221-099-9 | BDBM50401345 | 5-Methyl-1,10-phenanthroline, >=99% | NSC4272 | NSC-4272 | AKOS015899630 | A846127 | DTXSID4062771 | iron(+2) cation; 5-methyl-1,10-phenanthroline; sulfate | AMS_CNC_ID-110962535 | AS-59411 | J-200078 | 5-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

5-Methyl-1,10-phenanthroline forms iron(II)-phenanthroline complexes and their gas-phase stabilities has been investigated in an electrospray ionization mass spectrometer.
5-Methyl-1,10-phenanthroline was used in the determination of Cu(II) in duralmin alloy by capillary zone electrophoresis.

Specifications

Synonyms

SMSSF-0625532 | EINECS 221-099-9 | BDBM50401345 | 5-Methyl-1, 10-phenanthroline, >=99% | NSC4272 | NSC-4272 | AKOS015899630 | A846127 | DTXSID4062771 | iron(+2) cation; 5-methyl-1, 10-phenanthroline; sulfate | AMS_CNC_ID-110962535 | AS-59411 | J-200078 | 5-

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754665
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754665
• Canonical Smiles: CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2
• IUPAC Name: 5-methyl-1,10-phenanthroline
• InChIKey: UJAQYOZROIFQHO-UHFFFAOYSA-N
• INCHI: 1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
• Isomeric SMILES: CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2
• WGK Germany: 3
• Molecular Weight: 194.23
• Beilstein: 23(3/4)1714
• Reaxy-Rn: 143849
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143849&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: 1,10-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: 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

Associated Targets(Human)

CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)

Discover Target: CCR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)

Discover Target: CCR5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Histidine-rich protein (528 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ferriprotoporphyrin IX (165 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: methanol: soluble 50 mg/mL, clear to slightly hazy, colorless to yello
• Sensitivity: Hygroscopic
• Melt Point(°C): 113°C
• Molecular Weight: 194.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 194.084 Da
• Monoisotopic Mass: 194.084 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 229.000
• 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