Solvent blue 59

C₁₈H₁₈N₂O₂CAS 6994-46-3294.35 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₁₈H₁₈N₂O₂
Molar mass: 294.35 g/mol
Exact mass: 294.1368 Da
Melting point: 197–198 °C
logP: 3.33Crippen estimate
Polar surface area: 58.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation96.3% of notifiers
H319 Causes serious eye irritation96.3% of notifiers
H335 May cause respiratory irritation96.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life72.2% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6994-46-3

SMILES

CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O

InChIKey

JUUJTYPMICHIEM-UHFFFAOYSA-N

InChI

InChI=1S/C18H18N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10,19-20H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

12 names

9,10-Anthracenedione, 1,4-bis(ethylamino)-
Anthraquinone, 1,4-bis(ethylamino)-
1,4-Bis(ethylamino)-9,10-anthracenedione
C.I. Solvent blue 59
Calco oil blue N
1,4-Bis(ethylamino)anthraquinone
1,4-Bis(ethylamino)-9,10-anthraquinone
Kayaset blue FR
C.I. Solvent blue 105
C.I. 61552
Solvent blue 105
Ceres blue N

Work with Solvent blue 59

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

Oil blue 3517354-14-267 % similar Disperse blue 142475-44-761 % similar 1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-2-anthracenecarbonitrile62570-50-759 % similar C.I. Disperse blue 32475-46-956 % similar Oil blue A14233-37-556 % similar Quinizarine green ss128-80-351 % similar 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione32724-62-251 % similar 1-Methylamino-4-bromoanthraquinone128-93-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Methylamino)-4-[(1-methylethyl)amino]-9,10-anthracenedione15403-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook