Neutral red

C₁₅H₁₇ClN₄CAS 553-24-2288.78 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₅H₁₇ClN₄
Molar mass: 288.78 g/mol
Exact mass: 288.1142 Da
logP: 3.16Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation77.8% of notifiers
H319 Causes serious eye irritation77.8% of notifiers
H335 May cause respiratory irritation77.8% of notifiers
H341 Suspected of causing genetic defects77.8% of notifiers

Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

553-24-2

SMILES

Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N.Cl

InChIKey

PGSADBUBUOPOJS-UHFFFAOYSA-N

InChI

InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H

Weigh it out

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

Names and synonyms

9 names

2,8-Phenazinediamine, N8,N8,3-trimethyl-, hydrochloride (1:1)
C.I. Basic Red 5, monohydrochloride
Toluylene red
2,8-Phenazinediamine, N8,N8,3-trimethyl-, monohydrochloride
C.I. 50040
3-Amino-7-dimethylamino-2-methylphenazine hydrochloride
Neutral red W
C.I. Basic red 5
Nuclear Fast Red (basic dye)

Work with Neutral 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

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.

Neutral red iodide34038-87-4Salt

Similar compounds

Toluidine blue92-31-960 % similar N,N,N′,N′-Tetramethylacridine-3,6-diamine monohydrochloride compd. with zinc dichloride10127-02-349 % similar Acridine orange494-38-245 % similar N,N-Diethyltoluene-2,5-diamine hydrochloride2051-79-841 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-340 % similar p-Amino-N,N-dimethylaniline monohydrochloride2052-46-240 % similar Azure A531-53-340 % similar N,N-Dimethyl-p-phenylenediamine dihydrochloride536-46-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Myclobutanil88671-89-0

Elsewhere

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