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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
Names and Synonyms:
Leucomalachite Green
Benzenamine, 4,4′-(phenylmethylene)bis[N,N-dimethyl-
Aniline, 4,4′-benzylidenebis[N,N-dimethyl-
4,4′-(Phenylmethylene)bis[N,N-dimethylbenzenamine]
4,4′-Benzylidene bis[N,N-dimethylaniline]
Bis[p-(N,N-dimethylamino)phenyl]phenylmethane
C.I. Basic Green 4, leuco base
Leucomalachite green
Malachite green leuco
Malachite green leuco base
p,p′-Benzylidenebis(N,N-dimethylaniline)
4,4′-Bis(dimethylamino)triphenylmethane
4,4′-Bis(N,N-dimethylaminophenyl)phenylmethane
Bis(p-dimethylaminophenyl)phenylmethane
NSC 36379
Bis(4-dimethylaminophenyl)phenylmethane
Identifiers:
SMILES:
CN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1
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
Key Properties
Melting Point
92 °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 | 330.48 g/mol | CAS Common Chemistry |
| 330.4750000000001 g/mol | RDKit | |
| 330.209598832 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 |
| LogP | 4.998800000000005 | RDKit |
| Molar Refractivity | 108.92500000000005 | RDKit |
