chempirical
Back to Search

Molecule

Crystal Violet

CAS: 548-62-9 · C25H30ClN3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
548-62-9
Molecular Formula
C25H30ClN3
Molecular Mass
407.99 g/mol

Identifiers

CAS Registry Number

548-62-9

SMILES

CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]

InChI Key

ZXJXZNDDNMQXFV-UHFFFAOYSA-M

InChI

InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1

Names and Synonyms

  • Crystal Violet Common Name
  • Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1) Synonym
  • C.I. Basic Violet 3 Synonym
  • Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride Synonym
  • C.I. 42555 Synonym
  • Adergon Synonym
  • Aizen Crystal Violet Synonym
  • Aizen Crystal Violet Extra Pure Synonym
  • Aniline violet pyoktanine Synonym
  • Axuris Synonym
  • Badil Synonym
  • Basic Violet BN Synonym
  • Calcozine Violet C Synonym
  • Calcozine Violet 6BN Synonym
  • Crystal Violet 5BO Synonym
  • Crystal Violet 6BO Synonym
  • Crystal Violet AO Synonym
  • Crystal Violet AON Synonym
  • Crystal Violet BPC Synonym
  • Crystal Violet chloride Synonym
  • Crystal Violet Extra Pure Synonym
  • Crystal Violet Extra Pure APN Synonym
  • Crystal Violet Extra Pure APNX Synonym
  • Crystal Violet FN Synonym
  • Crystal Violet HL 2 Synonym
  • Crystal Violet Pure DSC Synonym
  • Crystal Violet Pure DSC Brilliant Synonym
  • Crystal Violet SS Synonym
  • Crystal Violet Technical Synonym
  • Crystal Violet USP Synonym
  • Crystal Violet O Synonym
  • Crystal Violet 6B Synonym
  • Crystal Violet 10B Synonym
  • Gentersal Synonym
  • Gentiaverm Synonym
  • Hectograph Violet SR Synonym
  • Hecto Violet R Synonym
  • Hexamethylpararosaniline chloride Synonym
  • Hexamethyl-p-rosaniline chloride Synonym
  • Hidaco Brilliant Crystal Violet Synonym
  • Methylrosaniline chloride Synonym
  • Methyl Violet 5BNO Synonym
  • Methyl Violet 5BO Synonym
  • Methyl Violet 10BO Synonym
  • Methyl Violet 10BD Synonym
  • Methyl Violet 10BK Synonym
  • Methyl Violet 10B Synonym
  • Methyl Violet 10BN Synonym
  • Mitsui Crystal Violet Synonym
  • Paper Blue R Synonym
  • Pararosaniline, N,N,N′,N′,N′′,N′′-hexamethyl-, chloride Synonym
  • Plastoresin Violet 5BO Synonym
  • Pyoktanin Synonym
  • Viocid Synonym
  • Violet 5BO Synonym
  • 12416 Violet Synonym
  • Violet CP Synonym
  • Violet 6BN Synonym
  • Crystal Violet BP Synonym
  • Gentian violet Synonym
  • Crystal violet Synonym
  • Violet XXIII Synonym
  • Aniline violet Synonym
  • Meroxylan-Wander Synonym
  • Meroxyl-Wander Synonym
  • Vianin Synonym
  • Methyl Violet 10BNS Synonym
  • Basic Violet 3 Synonym
  • Vermicid Synonym
  • Atmonil Synonym
  • Avermin Synonym
  • Genticid Synonym
  • Gentioletten Synonym
  • Oxiuran Synonym
  • Oxycolor Synonym
  • Oxyozyl Synonym
  • Hexamethyl violet Synonym
  • Methyl Violet 6B Synonym
  • Methyl Violet 6B (biological stain) Synonym
  • Sanyo Fanal Violet R Synonym
  • Gentian Violet B Synonym
  • Basonyl Violet 610 Synonym
  • Methylrosanilinium chloride Synonym
  • Meroxylan Synonym
  • Meroxyl Synonym
  • Aizen Crystal Violet Powder Synonym
  • Violet 612 Synonym
  • Chlorohexamethylene-p-fuchsin Synonym
  • Keyazine Crystal Violet 6B Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 407.99 g/mol CAS Common Chemistry
407.98900000000003 g/mol RDKit
407.989 g/mol RDKit
407.986 g/mol chempirical lib
Wikipedia Url https://en.wikipedia.org/wiki/Crystal_violet CAS Common Chemistry
Canonical SMILES [Cl-].C=1C=C(C=CC1C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C)N(C)C CAS Common Chemistry
InChI InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1 CAS Common Chemistry
InChI Key InChIKey=ZXJXZNDDNMQXFV-UHFFFAOYSA-M CAS Common Chemistry
Melting Point 205-215 °C (decomp) CAS Common Chemistry
Name Crystal violet CAS Common Chemistry
Heavy Atom Count 29 RDKit
Hydrogen Bond Acceptors 2 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 4 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 9.49 Ų RDKit
LogP 1.4636000000000002 RDKit
1.4636 RDKit
Molar Refractivity 122.95540000000004 cm³/mol RDKit
Ring Count 3 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.24 RDKit
Exact Mass 407.21282564 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.

External Resources

Convert

Quick conversion

MW = 407.99 g/mol. Edit any field — others recompute live.

Recent Searches

Acetone
Ethanol
↑ ↓ Navigate
esc Close