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Molecule record

Crystal violet

C25H30ClN3

408.00 g/mol

2D structure for Crystal violet

Molecular properties

Formula
C25H30ClN3
Molar mass
408.00 g·mol−1
Exact mass
407.2128 Da
12
0
3
9.50 Ų
CAS
548-62-9
PubChem CID
11057

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Amine
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 548-62-9
  • Adergon
  • Aniline Violet
  • Atmonil
  • Avermin
  • Axuris
  • Badil
  • Basic Violet BN
Show all 22 synonyms
  • Bismuth Violet
  • Gentersal
  • Gentiaverm
  • Genticid
  • Gentioletten
  • Hexamethyl Violet
  • Hexamethylpararosaniline chloride
  • Methyl Violet 10B
  • Methylrosaniline chloride
  • Pyoktanin
  • Vianin
  • Viocid
  • gentian violet
  • methylrosanilinium chloride

Structure identifiers

Canonical SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
Isomeric SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
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
InChIKey
ZXJXZNDDNMQXFV-UHFFFAOYSA-M
PubChem CID
11057

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Crystal violet; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Crystal violet; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record