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Molecule
Leucocrystal Violet
CAS: 603-48-5 · C25H31N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 603-48-5
- Molecular Formula
- C25H31N3
- Molecular Mass
- 373.54 g/mol
Identifiers
CAS Registry Number
603-48-5
SMILES
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChI Key
OAZWDJGLIYNYMU-UHFFFAOYSA-N
InChI
InChI=1S/C25H31N3/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/h7-18,25H,1-6H3
Names and Synonyms
- Leucocrystal Violet Synonym
- Benzenamine, 4,4′,4′′-methylidynetris[N,N-dimethyl- Synonym
- Aniline, 4,4′,4′′-methylidynetris[N,N-dimethyl- Synonym
- p,p′,p′′-methylidynetris[N,N-dimethyl-Aniline Synonym
- 4,4′,4′′-Methylidynetris[N,N-dimethylbenzenamine] Synonym
- C.I. Basic Violet 3, leuco Synonym
- 4,4′,4′′-(Hexamethyltriamino)triphenylmethane Synonym
- Leucomethyl green Synonym
- Leucocrystal Violet Synonym
- 4,4′,4′′-Methylidynetris(N,N-dimethylaniline) Synonym
- Tris[4-(dimethylamino)phenyl]methane Synonym
- 4,4′,4′′-Tris(N,N-dimethylaminophenyl)methane Synonym
- Crystal violet leuco base Synonym
- Leucogentian violet Synonym
- Leuco Basic Violet 3 Synonym
- A-DMA Synonym
- LCV Synonym
- NSC 7338 Synonym
- Leuco Crystal Violet Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.54 g/mol | CAS Common Chemistry |
| 373.5440000000001 g/mol | RDKit | |
| 373.544 g/mol | RDKit | |
| Canonical SMILES | C=1C=C(C=CC1N(C)C)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C25H31N3/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/h7-18,25H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OAZWDJGLIYNYMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173 °C | CAS Common Chemistry |
| Name | Leucocrystal Violet | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| 9.03 Ų | chempirical lib | |
| LogP | 5.064800000000005 | RDKit |
| 5.0648 | RDKit | |
| 4.97 | chempirical lib | |
| Molar Refractivity | 123.25200000000007 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.28 | RDKit |
| Exact Mass | 373.25179799200004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 373.54 g/mol. Edit any field — others recompute live.
