Neocuproine
Properties
- Molecular formula
- C14H12N2
- Molar mass
- 208.26 g/mol
- Exact mass
- 208.1000 Da
- Melting point
- 159.5 °C
- Boiling point
- 180–190 °C (at 0.5 Torr)
- logP
- 3.40Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation93.6% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
484-11-7SMILES
Cc1ccc2ccc3ccc(C)nc3c2n1InChIKey
IYRGXJIJGHOCFS-UHFFFAOYSA-NInChI
InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 1,10-Phenanthroline, 2,9-dimethyl-
- 2,9-Dimethyl-1,10-phenanthroline
- 2,9-Dimethyl-o-phenanthroline
- Neocuproin
- DMPHEN
- VUF 7738
- 2,9-Dimethylphenanthroline
- 2,9-Neocuproine
- NSC 4280
- 2,9-Dimethyl-1,10-phenanthrolin
- 3,6-Dimethyl-4,5-diazaphenanthrene
Work with Neocuproine
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.
Similar compounds
2,8-Dimethylquinoline1463-17-864 % similar
8-Aminoquinaldine18978-78-462 % similar
8-Chloro-2-methylquinoline3033-82-762 % similar
8-Bromo-2-methyl-quinoline61047-43-662 % similar
2-Methyl-8-hydroxyquinoline826-81-359 % similar
Quinaldine91-63-452 % similar
2,7-Dimethylquinoline93-37-850 % similar
2-Methyl-8-nitroquinoline881-07-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.