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Molecule

Brilliant Green (Dye)

CAS: 633-03-4 · C27H34N2O4S

2D Structure

3D Structure

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Basic Information

CAS Registry Number
633-03-4
Molecular Formula
C27H34N2O4S
Molecular Mass
482.65 g/mol

Identifiers

CAS Registry Number

633-03-4

SMILES

CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)([O-])O

InChI Key

NNBFNNNWANBMTI-UHFFFAOYSA-M

InChI

InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

Names and Synonyms

  • Brilliant Green (Dye) Common Name
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1) Synonym
  • Basic Bright Green Sulfate Synonym
  • Aizen Malachite Green GH Synonym
  • Basic Bright Green Synonym
  • Basic Green 1 Synonym
  • Astrazon Green D Synonym
  • Brilliant Green BP Synonym
  • Resplendency Green Synonym
  • NSC 5011 Synonym
  • Diamond Green GH Synonym
  • Fluka Brilliant Green Synonym
  • C.I. Basic Green 1 Synonym
  • 12415 Green Synonym
  • C.I. 42040 Synonym
  • ADC Brilliant Green Crystals Synonym
  • Aizen Diamond Green GH Synonym
  • Astra Diamond Green GX Synonym
  • Avon Green A 4379 Synonym
  • Basic Green V Synonym
  • Brilliant Green BPC Synonym
  • Brilliant Green BP Crystals Synonym
  • Brilliant Green B Synonym
  • Brilliant Green G Synonym
  • Brilliant Green P Synonym
  • Brilliant Green Y Synonym
  • Brilliant Green Crystals Synonym
  • Brilliant Green Crystals H Synonym
  • Brilliant Green DSC Synonym
  • Brilliant Green GX Synonym
  • Brilliant Green Lake Synonym
  • Brilliant Green Sulfate Synonym
  • Brilliant Green WP Crystals Synonym
  • Brilliant Green YN Synonym
  • Brilliant Lake Green Y Synonym
  • Calcozine Brilliant Green G Synonym
  • Deorlene Green JJO Synonym
  • Diamond Green G Synonym
  • Ethyl green Synonym
  • Fast Green J Synonym
  • Fast Green JJO Synonym
  • Green EN Synonym
  • Hidaco Brilliant Green Synonym
  • Malachite Green G Synonym
  • Mitsui Brilliant Green GX Synonym
  • Solid Green Synonym
  • Tertrophene Brilliant Green G Synonym
  • Tokyo Aniline Brilliant Green Synonym
  • Brilliant Green Special Synonym
  • Brilliant Green Synonym
  • Brilliant Green YNS Synonym
  • Basic Brilliant Green Synonym
  • Brilliant green aseptic Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 482.65 g/mol CAS Common Chemistry
482.6460000000001 g/mol RDKit
482.646 g/mol RDKit
482.639 g/mol chempirical lib
Wikipedia Url https://en.wikipedia.org/wiki/Brilliant_green_(dye) CAS Common Chemistry
Canonical SMILES O=S(=O)([O-])O.C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC CAS Common Chemistry
InChI InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1 CAS Common Chemistry
InChI Key InChIKey=NNBFNNNWANBMTI-UHFFFAOYSA-M CAS Common Chemistry
Melting Point 210 °C (decomp) CAS Common Chemistry
Name Brilliant Green CAS Common Chemistry
Brilliant green (dye) CAS Common Chemistry
Heavy Atom Count 34 RDKit
Hydrogen Bond Acceptors 4 RDKit
Hydrogen Bond Donors 1 RDKit
Rotatable Bonds 7 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 83.68 Ų RDKit
LogP 4.958600000000004 RDKit
4.9586 RDKit
Molar Refractivity 139.4223999999999 cm³/mol RDKit
Ring Count 3 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.2963 RDKit
0.3 chempirical lib
Exact Mass 482.22392856799985 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 482.65 g/mol. Edit any field — others recompute live.

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