chempirical

Basic red 12

C25H29ClN2CAS 6320-14-5392.97 g/mol

Open in Covalent MOL file
NN+Cl−
AlkeneTertiary amine

Properties

Molecular formula
C25H29ClN2
Molar mass
392.97 g/mol
Exact mass
392.2019 Da
logP
2.56Crippen estimate
Polar surface area
6.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
6320-14-5
SMILES
CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[Cl-]
InChIKey
QCGOYKXFFGQDFY-UHFFFAOYSA-M
InChI
InChI=1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

29 names · show all
  • 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-, chloride (1:1)
  • 3H-Indolium, 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-, chloride
  • 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride
  • 1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-3H-indolium chloride
  • C.I. 48070
  • Acronol phloxine FF
  • Aizen astra phloxine FF
  • Astra Phloxine G extra
  • Brilliant pink AS
  • C.I. Basic red 12
  • Cosmophloxine F
  • Tokyo aniline astraphloxine FF
  • Astra phloxine
  • Astraphloxin
  • Astraphloxin G
  • Astra phloxine G
  • Verona paper red
  • Aizen astra phloxine FF conc.
  • Atlantic paper red P
  • Astrafloxin
  • Astrafloxin F
  • Astra phloxine F
  • 1,3,3,1′,3′,3′-Hexamethylindocarbocyanine chloride
  • Astra phloxine FF
  • 1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydroindol-2-ylidene)propenyl]-3H-indolium chloride
  • Amezin brilliant R red P liquid
  • Astrafloxin FF
  • 1,3,3-Trimethyl-2-(3-(1,3,3-trimethylindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium chloride
  • 2-[3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride

Work with Basic red 12

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

2-(Formylmethylene)-1,3,3-trimethylindoline84-83-352 % similar Basic red 133648-36-048 % similar Basic red 1412217-48-046 % similar Basic orange 224657-00-543 % similar 1,3,3-Trimethyl-2-methyleneindoline118-12-742 % similar Basic yellow 2854060-92-334 % similar Trump IR134127-48-331 % similar

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

Elsewhere

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