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Leucocrystal Violet
CAS: 603-48-5 | C25H31N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
603-48-5
Molecular Formula:
C25H31N3
Molecular Mass:
373.54 g/mol
Names and Synonyms:
Leucocrystal Violet
Benzenamine, 4,4′,4′′-methylidynetris[N,N-dimethyl-
Aniline, 4,4′,4′′-methylidynetris[N,N-dimethyl-
p,p′,p′′-methylidynetris[N,N-dimethyl-Aniline
4,4′,4′′-Methylidynetris[N,N-dimethylbenzenamine]
C.I. Basic Violet 3, leuco
4,4′,4′′-(Hexamethyltriamino)triphenylmethane
Leucomethyl green
Leucocrystal Violet
4,4′,4′′-Methylidynetris(N,N-dimethylaniline)
Tris[4-(dimethylamino)phenyl]methane
4,4′,4′′-Tris(N,N-dimethylaminophenyl)methane
Crystal violet leuco base
Leucogentian violet
Leuco Basic Violet 3
A-DMA
LCV
NSC 7338
Leuco Crystal Violet
Identifiers:
SMILES:
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
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
Key Properties
Melting Point
173 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.54 g/mol | CAS Common Chemistry |
| 373.5440000000001 g/mol | RDKit | |
| 373.25179799200004 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 |
| LogP | 5.064800000000005 | RDKit |
| Molar Refractivity | 123.25200000000007 | RDKit |
