Basic blue 16

C₃₀H₂₄ClN₅OCAS 4569-88-4506.01 g/mol

Open in Covalent MOL file

Azo Primary amine

Properties

Molecular formula: C₃₀H₂₄ClN₅O
Molar mass: 506.01 g/mol
Exact mass: 505.1669 Da
logP: 6.93Crippen estimate
Polar surface area: 90.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

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

Identifiers

CAS number

4569-88-4

SMILES

Cc1cc2nc3cc(C)c(N=Nc4c([O-])ccc5ccccc45)cc3[n+](-c3ccccc3)c2cc1N.Cl

InChIKey

SCMDRBZEIUMBBQ-UHFFFAOYSA-N

InChI

InChI=1S/C30H23N5O.ClH/c1-18-14-25-27(16-23(18)31)35(21-9-4-3-5-10-21)28-17-24(19(2)15-26(28)32-25)33-34-30-22-11-7-6-8-20(22)12-13-29(30)36;/h3-17H,1-2H3,(H2,31,33,36);1H

Weigh it out

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

Names and synonyms

11 names

Phenazinium, 3-amino-7-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-2,8-dimethyl-5-phenyl-, chloride (1:1)
C.I. Basic blue 16
Phenazinium, 3-amino-7-[(2-hydroxy-1-naphthalenyl)azo]-2,8-dimethyl-5-phenyl-, chloride
Janus blue
3-Amino-7-[(2-hydroxy-1-naphthyl)azo]-2,8-dimethyl-5-phenylphenazinium chloride
C.I. 12210
Indazol blue R
Indoine blue R
Indoine blue 3B
3-Amino-2,8-dimethyl-7-(2-hydroxy-1-naphthylazo)-5-phenylphenazinium chloride
Indoine blue

Work with Basic blue 16

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

Safranin477-73-653 % similar C.I. Acid black 12332517-36-535 % similar Oil red O1320-06-535 % similar Sudan II3118-97-634 % similar Chloro(p-((2-hydroxy-1-naphthyl)azo)phenyl)mercury3076-91-332 % similar Solvent red 253176-79-232 % similar Sudan IV85-83-632 % similar Orange OT2646-17-532 % similar

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

Elsewhere

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