Back to Search
Molecule
Leucomalachite Green
CAS: 129-73-7 · C23H26N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 129-73-7
- Molecular Formula
- C23H26N2
- Molecular Mass
- 330.48 g/mol
Identifiers
CAS Registry Number
129-73-7
SMILES
CN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChI Key
WZKXBGJNNCGHIC-UHFFFAOYSA-N
InChI
InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3
Names and Synonyms
- Leucomalachite Green Synonym
- Benzenamine, 4,4′-(phenylmethylene)bis[N,N-dimethyl- Synonym
- Aniline, 4,4′-benzylidenebis[N,N-dimethyl- Synonym
- 4,4′-(Phenylmethylene)bis[N,N-dimethylbenzenamine] Synonym
- 4,4′-Benzylidene bis[N,N-dimethylaniline] Synonym
- Bis[p-(N,N-dimethylamino)phenyl]phenylmethane Synonym
- C.I. Basic Green 4, leuco base Synonym
- Leucomalachite green Synonym
- Malachite green leuco Synonym
- Malachite green leuco base Synonym
- p,p′-Benzylidenebis(N,N-dimethylaniline) Synonym
- 4,4′-Bis(dimethylamino)triphenylmethane Synonym
- 4,4′-Bis(N,N-dimethylaminophenyl)phenylmethane Synonym
- Bis(p-dimethylaminophenyl)phenylmethane Synonym
- NSC 36379 Synonym
- Bis(4-dimethylaminophenyl)phenylmethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.48 g/mol | CAS Common Chemistry |
| 330.4750000000001 g/mol | RDKit | |
| 330.475 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WZKXBGJNNCGHIC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92 °C | CAS Common Chemistry |
| Name | Leucomalachite green | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 4.998800000000005 | RDKit |
| 4.9988 | RDKit | |
| 4.55 | chempirical lib | |
| Molar Refractivity | 108.92500000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2174 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 330.209598832 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 |
|---|
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.
External Resources
Convert
Quick conversion
MW = 330.48 g/mol. Edit any field — others recompute live.
