4,5-Phenanthroline monohydrate

C₁₂H₁₀N₂OCAS 5144-89-8198.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀N₂O
Molar mass: 198.22 g/mol
Exact mass: 198.0793 Da
Melting point: 103 °C
Water solubility: < 100 mg/L (21.1 °C)
logP: 1.96Crippen estimate
Polar surface area: 57.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H400 Very toxic to aquatic life96.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects99.2% of notifiers

Aggregated from 122 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

5144-89-8

SMILES

O.c1cnc2c(c1)ccc1cccnc12

InChIKey

PPQJCISYYXZCAE-UHFFFAOYSA-N

InChI

InChI=1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1,10-Phenanthroline, monohydrate
1,10-Phenanthroline, hydrate (1:1)
o-Phenanthroline monohydrate
1,10-Phenanthroline hydrate

Work with 4,5-Phenanthroline monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,10-Phenanthroline66-71-7Anhydrous 1,10-Phenanthroline hydrochloride3829-86-5Salt

Similar compounds

Benzo[h]quinoline230-27-360 % similar 2-Bromo-1,10-phenanthroline22426-14-857 % similar 2-Chloro-1,10-phenanthroline7089-68-157 % similar 1,7-Phenanthroline230-46-656 % similar 8-Bromoquinoline16567-18-354 % similar 8-Chloroquinoline611-33-654 % similar Ferroin14634-91-453 % similar 3-Bromo-1,10-phenanthroline66127-01-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde104704-09-8 4-Nitrosodiphenylamine156-10-5 Solvent yellow 71689-82-3 Nicotinanilide1752-96-1 Phenyl 2-pyridyl ketoxime1826-28-4 2-(2-Aminobenzoyl)pyridine42471-56-7 Azoxybenzene495-48-7 N-Nitrosodiphenylamine86-30-6

Elsewhere

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