Ethyl red

C17H19N3O2CAS 76058-33-8297.36 g/mol

Open in Covalent MOL file
NNNOOH
AzoCarboxylic acidTertiary amine

Properties

Molecular formula
C17H19N3O2
Molar mass
297.36 g/mol
Exact mass
297.1477 Da
logP
4.65Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 11 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
76058-33-8
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O
InChIKey
HBRCDTRQDHMTDA-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N3O2/c1-3-20(4-2)14-11-9-13(10-12-14)18-19-16-8-6-5-7-15(16)17(21)22/h5-12H,3-4H2,1-2H3,(H,21,22)

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Work with Ethyl red

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

2-[2-[4-(Dipropylamino)phenyl]diazenyl]benzoic acid2641-01-280 % similar Methyl red493-52-772 % similar 2-(4′-Hydroxyphenylazo)benzoic acid1634-82-863 % similar Solvent yellow 562481-94-957 % similar 4-(Diethylamino)benzoic acid5429-28-755 % similar 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-452 % similar N-Acetylanthranilic acid89-52-147 % similar Diazenylbenzoic acid58434-28-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl 2-[[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate198904-84-6 1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine61338-13-4

Elsewhere

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