4,7-Dimethyl-1,10-phenanthroline

C₁₄H₁₂N₂CAS 3248-05-3208.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂N₂
Molar mass: 208.26 g/mol
Exact mass: 208.1000 Da
Melting point: 194–195 °C
logP: 3.40Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation11.6% of notifiers
H319 Causes serious eye irritation11.6% of notifiers
H335 May cause respiratory irritation11.6% 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+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3248-05-3

SMILES

Cc1ccnc2c1ccc1c(C)ccnc12

InChIKey

JIVLDFFWTQYGSR-UHFFFAOYSA-N

InChI

InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3

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Names and synonyms

3 names

1,10-Phenanthroline, 4,7-dimethyl-
4,7-Dimethyl-o-phenanthroline
NSC 4281

Work with 4,7-Dimethyl-1,10-phenanthroline

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

Similar compounds

Lepidine491-35-052 % similar 5-Methyl-1,10-phenanthroline3002-78-650 % similar 4-Methyl-1H-pyrrolo(2,3-b)pyridine824-24-848 % similar 3,4,7,8-Tetramethyl-1,10-phenanthroline1660-93-148 % similar 4,7-Dimethoxy-1,10-phenanthroline92149-07-046 % similar 4,7-Dibromo-1,10-phenanthroline156492-30-746 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-046 % similar 4-Chloro-8-methylquinoline18436-73-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzaldehyde azine28867-76-7 5,6-Dimethyl-1,10-phenanthroline3002-81-1 Anthracene-2,6-diamine46710-42-3 Neocuproine484-11-7 Benzalazine588-68-1 Dibazole621-72-7

Elsewhere

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