Phenanthridine
Properties
- Molecular formula
- C13H9N
- Molar mass
- 179.22 g/mol
- Exact mass
- 179.0735 Da
- Melting point
- 107.4 °C
- Boiling point
- 349 °C
- logP
- 3.39Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed93% of notifiers
- H315 Causes skin irritation93% of notifiers
- H318 Causes serious eye damage93% of notifiers
- H335 May cause respiratory irritation93% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
229-87-8SMILES
c1ccc2c(c1)cnc1ccccc12InChIKey
RDOWQLZANAYVLL-UHFFFAOYSA-NInChI
InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzo[c]quinoline
- 3,4-Benzoquinoline
- 9-Azaphenanthrene
- 3,4-Benzoisoquinoline
- 5-Azaphenanthrene
- NSC 338473
- NSC 73482
- NSC 93336
Work with Phenanthridine
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
Benzo[c]cinnoline230-17-148 % similar
Phenanthrene85-01-845 % similar
2-Chloroquinazoline6141-13-545 % similar
3-Bromoquinoline5332-24-143 % similar
3-Aminoquinoline580-17-643 % similar
3-Hydroxyquinoline580-18-743 % similar
3-Methylquinoline612-58-843 % similar
3-Chloroquinoline612-59-943 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds