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Substance Name: 1,10-Phenanthroline
RN: 66-71-7
UNII: W4X6ZO7939
InChIKey: DGEZNRSVGBDHLK-UHFFFAOYSA-N

Note

  • Inhibits Zn-dependent metalloproteinases.

Molecular Formula

  • C12-H8-N2

Molecular Weight

  • 180.209
 

Classification Codes

  • Chelating Agents
  • Cholinergic Agents
  • Cholinesterase Inhibitors
  • Cross-Linking Reagents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Indicators and Reagents
  • Intercalating Agents
  • Iron Chelating Agents
  • Mutation Data
  • Neurotransmitter Agents
  • Protease Inhibitors
  • Reproductive Effect
  • Sequestering Agents
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Names and Synonyms

Name of Substance

  • 1,10-Phenanthroline

Synonyms

  • 1,10-Fenanthrolin
  • 1,10-Fenanthrolin [Czech]
  • 1,10-o-Phenanthroline
  • 1,10-Phenanthroline
  • 2-Phenanthroline
  • 4,5-Diazaphenanthrene
  • beta-Phenanthroline
  • CCRIS 4855
  • EINECS 200-629-2
  • NSC 203545
  • NSC 4265
  • o-Phenanthroline
  • Orthophenanthroline
  • UNII-W4X6ZO7939

Systematic Names

  • 1,10-Phenanthroline
  • o-Phenanthroline

Superlist Name

  • 1,10-Phenanthroline

Registry Numbers

CAS Registry Number

  • 66-71-7

FDA UNII

  • W4X6ZO7939

Related Registry Numbers

  • 16561-55-0 (zinc salt)
  • 21532-74-1 (monoperchlorate)
  • 22802-96-6 (hydrochloride)
  • 3829-86-5 (mono-hydrochloride)

System Generated Number

  • 0000066717

Structure Descriptors

InChI

InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

InChIKey

DGEZNRSVGBDHLK-UHFFFAOYSA-N

Smiles

c1cnc2c(c1)ccc3cccnc23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
mouse LD50 intravenous 18mg/kg (18mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 137, Pg. 1, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 117 deg C   EXP
Boiling Point > 300 deg C   EXP
pKa Dissociation Constant 4.27 (none) 20 EXP
log P (octanol-water) 1.78 (none)   EXP
Water Solubility 2690 mg/L 25 EXP
Vapor Pressure 5.23E-05 mm Hg 25 EST
Henry's Law Constant 4.45E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.