1,10-phenanthrolin-5-amine

• ChemBase ID: 139666
• Molecular Formular: C12H9N3
• Molecular Mass: 195.21996
• Monoisotopic Mass: 195.0796473
• SMILES: c1cc2cc(c3cccnc3c2nc1)N
• Canonical SMILES: Nc1cc2cccnc2c2c1cccn2
• InChI: InChI=1S/C12H9N3/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,13H2
• InChIKey: DKPSSMOJHLISJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthrolin-5-amine
• IUPAC Traditional name: 1,10-phenanthrolin-5-amine
• Synonyms: 5-Amino-1,10-phenanthroline; 5-Amino-o-phenanthroline; 5-Aminophenanthroline; 1,10-Phenanthrolin-5-amine; (1,10)-Phenanthrolin-5-ylamine; 1,10-Phenanthrolin-5-amine; 1,10-菲罗啉-5-胺; 1,10-菲罗啉-5-氨基

Database IDs

• CAS Number: 54258-41-2
• MDL Number: MFCD00455733
• PubChem SID: 24882426; 162233914
• PubChem CID: 606970

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0470136
• LogD (pH = 7.4): 1.4503596
• Log P: 1.4596292
• Molar Refractivity: 58.601 cm^3
• Polarizability: 24.848068 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Brown to Orange Solid
• Melting Point: 248-251°C (dec.); 254-258 °C(lit.)

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-43
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H9N3

DETAILS

Sigma Aldrich - 631507

Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - P295030

1,10-Phenanthrolin-5-amine is a potential fluorescent label for DNA detection. 1,10-Phenanthrolin-5-amine is used as a mediator for glucose oxidase for development of biosensors and biofuel cells

REFERENCES

• Qin, P.-Z. et al.: Analyst, 135, 2144 (2010)
• Oztekin, Y. et al.: Biosens. Bioelectron., 26, 267 (2010)