chempirical

Methylene violet 3rax

C22H23ClN4CAS 4569-86-2378.90 g/mol

Open in Covalent MOL file
NNNHNHCl
Tertiary amine

Properties

Molecular formula
C22H23ClN4
Molar mass
378.90 g/mol
Exact mass
378.1611 Da
logP
4.88Crippen estimate
Polar surface area
44.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
4569-86-2
SMILES
CCN(CC)c1ccc2nc3ccc(=N)cc-3n(-c3ccccc3)c2c1.Cl
InChIKey
MOVNSGGBTSIUGX-UHFFFAOYSA-N
InChI
InChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H

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Names and synonyms

7 names
  • Phenazinium, 3-amino-7-(diethylamino)-5-phenyl-, chloride (1:1)
  • Phenazinium, 3-amino-7-(diethylamino)-5-phenyl-, chloride
  • 3-Amino-7-diethylamino-5-phenylphenazinium chloride
  • Safranine, diethyl-
  • C.I. 50206
  • Diethylsafranin
  • 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride

Work with Methylene violet 3rax

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

Janus green B2869-83-256 % similar Solvent red 19752372-39-132 % similar N,5-Bis(4-chlorophenyl)-3-imino-3,5-dihydrophenazin-2-amine102262-55-532 % similar 3-Methyl-4-amino-N,N-diethylaniline hydrochloride2051-79-832 % similar Diethylaniline91-66-731 % similar Nile red7385-67-331 % similar N,N-Diethyl-P-phenylenediamine hydrochloride2198-58-530 % similar N,N-Diethyl-M-toluidine91-67-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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