1,10-Phenanthroline hydrochloride

C12H9ClN2CAS 3829-86-5216.67 g/mol

Open in Covalent MOL file
HClNN

Properties

Molecular formula
C12H9ClN2
Molar mass
216.67 g/mol
Exact mass
216.0454 Da
Melting point
225 °C
logP
3.20Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Environmental Hazard (GHS09)

Aggregated from 54 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
3829-86-5
SMILES
Cl.c1cnc2c(c1)ccc1cccnc12
InChIKey
QPXDKQBBJCTNOY-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2.ClH/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H

Weigh it out

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

Names and synonyms

4 names
  • 1,10-Phenanthroline, hydrochloride (1:1)
  • 1,10-Phenanthroline, monohydrochloride
  • 1,10-Diazaphenanthrene hydrochloride
  • NSC 4265

Work with 1,10-Phenanthroline hydrochloride

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.

4,5-Phenanthroline monohydrate5144-89-8Hydrate 1,10-Phenanthroline66-71-7Free base

Similar compounds

Thiooxine hydrochloride34006-16-163 % similar Benzo[h]quinoline230-27-360 % similar 2-Bromo-1,10-phenanthroline22426-14-857 % similar 2-Chloro-1,10-phenanthroline7089-68-157 % similar Quinoline hydrochloride530-64-356 % similar 1,7-Phenanthroline230-46-656 % similar 8-Bromoquinoline16567-18-354 % similar 8-Chloroquinoline611-33-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook