chempirical

Indigo blue

C16H10N2O2CAS 482-89-3262.27 g/mol

Open in Covalent MOL file
ONHOHN
AlkeneKetoneSecondary amine

Properties

Molecular formula
C16H10N2O2
Molar mass
262.27 g/mol
Exact mass
262.0742 Da
Density
1.35 g/mL
Melting point
390 °C (decomposes)
logP
2.81Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
482-89-3
SMILES
O=C1C(=C2Nc3ccccc3C2=O)Nc2ccccc21
InChIKey
COHYTHOBJLSHDF-UHFFFAOYSA-N
InChI
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H

Weigh it out

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

Names and synonyms

63 names · show all
  • 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
  • [δ2,2′-Biindoline]-3,3′-dione
  • Indigo pure BASF
  • 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
  • 11669 Blue
  • C.I. 73000
  • [δ2,2′(3H,3′H)-Biindole]-3,3′-dione
  • δ2,2′-Bipseudoindoxyl
  • D+C Blue no. 6
  • C.I. Vat blue 1
  • Diindogen
  • Indigo J
  • Indigo N
  • Indigo P
  • Indigo ciba
  • Indigo ciba SL
  • Indigo NAC
  • Indigo NACCO
  • Indigo PLN
  • Indigo powder W
  • Indigo pure BASF powder K
  • Indigo synthetic
  • Indigotin
  • Indigo VS
  • Lithosol deep blue B
  • Mitsui indigo paste
  • Mitsui indigo pure
  • Monolite fast navy blue BV
  • Synthetic indigo
  • Synthetic indigo TS
  • Vulcafix blue R
  • Vulcafor blue A
  • Vulcanosine dark blue L
  • Vulcol fast blue GL
  • Vynamon blue A
  • Vat blue 1
  • Indigo
  • Blue no. 201
  • Cystoceva
  • D And C blue no. 6
  • Indigotin (natural)
  • Indigotine
  • C.I. Pigment blue 66
  • Pigment indigo
  • Pigment indigo V
  • Pigment blue 66
  • C Blue 22
  • Natural blue indigotin
  • C.I. Natural blue 1
  • Natural blue 1
  • Mitsui indigo pure EXN
  • Japan blue 201
  • Vat dark blue VB
  • D&C Blue no. 6
  • Reduced dark blue VB
  • Dystar indigo gr
  • 2,2′-Bis(2,3-dihydro-3-oxoindolylidene)
  • Bezema indigo AXX-FL
  • AXX-FL
  • 2,2′-Biindolylidene-3,3′-dione
  • 2-(3-Oxo-1H-indol-2-ylidene)-1H-indol-3-one
  • AT 01
  • Dystar indigo gran

Work with Indigo blue

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

Isatin91-56-565 % similar Indigo carmine860-22-045 % similar Isatin β-oxime607-28-344 % similar Dichlone117-80-643 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-541 % similar Anthraquinone84-65-140 % similar Dianthrimide82-22-439 % similar Thioindigo522-75-839 % similar

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

Same formula

Indirubin479-41-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook