Benzo[h]quinoline

C₁₃H₉NCAS 230-27-3179.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉N
Molar mass: 179.22 g/mol
Exact mass: 179.0735 Da
Melting point: 52 °C
Boiling point: 339 °C
logP: 3.39Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

230-27-3

SMILES

c1ccc2c(c1)ccc1cccnc12

InChIKey

WZJYKHNJTSNBHV-UHFFFAOYSA-N

InChI

InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H

Weigh it out

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

Names and synonyms

7 names

4-Azaphenanthrene
7,8-Benzoquinoline
α-Naphthoquinoline
α-Benzoquinoline
7,8-Benzo[h]quinoline
NSC 16033
Benzo(h)quinoline

Work with Benzo[h]quinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,7-Phenanthroline230-46-669 % similar 1,10-Phenanthroline66-71-768 % similar 1,10-Phenanthroline hydrochloride3829-86-560 % similar 4,5-Phenanthroline monohydrate5144-89-860 % similar 8-Bromoquinoline16567-18-350 % similar 8-Chloroquinoline611-33-650 % similar Phenanthrene85-01-850 % similar 2-Bromo-1,10-phenanthroline22426-14-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenanthridine229-87-8 2-Cyanobiphenyl24973-49-7 Acridine260-94-6 (1,1'-Biphenyl)-4-carbonitrile2920-38-9 Benzo[f]quinoline85-02-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook