chempirical

Neutral red

C15H17ClN4CAS 553-24-2288.78 g/mol

Open in Covalent MOL file
NNNH2NHCl
Primary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

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

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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

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 3-Methyl-4-amino-N,N-diethylaniline 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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