Cresyl violet acetate

C18H15N3O3CAS 10510-54-0321.34 g/mol

Open in Covalent MOL file
OO−H2NNNH2O+
Carboxylic acidPrimary amine

Properties

Molecular formula
C18H15N3O3
Molar mass
321.34 g/mol
Exact mass
321.1113 Da
logP
2.34Crippen estimate
Polar surface area
116.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10510-54-0
SMILES
CC(=O)[O-].Nc1ccc2nc3c(cc(N)c4ccccc43)[o+]c2c1
InChIKey
XKOCOMKJPWEOHX-UHFFFAOYSA-M
InChI
InChI=1S/C16H12N3O.C2H4O2/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;1-2(3)4/h1-8H,17-18H2;1H3,(H,3,4)/q+1;/p-1

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Names and synonyms

5 names
  • Benzo[A]phenoxazin-7-ium, 5,9-diamino-, acetate (1:1)
  • 5H-Benzo[a]phenoxazine, 9-amino-5-imino-, acetate
  • 5H-Benzo[a]phenoxazin-9-amine, 5-imino-, monoacetate
  • Benzo[a]phenoxazin-7-ium, 5,9-diamino-, acetate
  • 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate

Work with Cresyl violet acetate

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt Cobalt(II) acetate71-48-7Salt

Similar compounds

Rhodamine 11013558-31-135 % similar Rhodamine 12362669-70-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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