Cresyl violet acetate

C₁₈H₁₅N₃O₃CAS 10510-54-0321.34 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 0

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

Weigh it out

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

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

Similar compounds

Thionine acetate78338-22-447 % similar Rhodamine 11013558-31-135 % similar Rhodamine 12362669-70-932 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook