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Molecule
Wurster'S Blue
CAS: 100-22-1 · C10H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 100-22-1
- Molecular Formula
- C10H16N2
- Molecular Mass
- 164.25 g/mol
Identifiers
CAS Registry Number
100-22-1
SMILES
CN(C)c1ccc(N(C)C)cc1
InChI Key
CJAOGUFAAWZWNI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
Names and Synonyms
- Wurster'S Blue Common Name
- 1,4-Benzenediamine, N1,N1,N4,N4-tetramethyl- Synonym
- p-Phenylenediamine, N,N,N′,N′-tetramethyl- Synonym
- 1,4-Benzenediamine, N,N,N′,N′-tetramethyl- Synonym
- N1,N1,N4,N4-Tetramethyl-1,4-benzenediamine Synonym
- 1,4-Bis(dimethylamino)benzene Synonym
- TMPD Synonym
- p-Bis(dimethylamino)benzene Synonym
- Tetramethyl-p-phenylenediamine Synonym
- N,N,N′,N′-Tetramethyl-1,4-phenylenediamine Synonym
- TMPD (amine) Synonym
- N,N-Dimethyl-p-(dimethylamino)aniline Synonym
- N,N,N′,N′-Tetramethyl-p-benzenediamine Synonym
- TMPDA Synonym
- N,N,N′,N′-Tetramethyl-1,4-diaminobenzene Synonym
- Wurster's reagent Synonym
- 4-(Dimethylamino)-N,N-dimethylaniline Synonym
- N,N,N′,N′-Tetramethyl-p-phenylenediamine Synonym
- p-(Dimethylamino)-N,N-dimethylaniline Synonym
- TMPPD Synonym
- N,N,N′,N′-Tetramethyl-1,4-benzenediamine Synonym
- Reagents, Wurster's Synonym
- 1-N,1-N,4-N,4-N-Tetramethylbenzene-1,4-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.25 g/mol | CAS Common Chemistry |
| 164.25199999999998 g/mol | RDKit | |
| 164.252 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Wurster%27s_blue | CAS Common Chemistry |
| Boiling Point | 260 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CJAOGUFAAWZWNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51 °C | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetramethyl-p-phenylenediamine | CAS Common Chemistry |
| Wurster's blue | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 1.8186 | RDKit |
| Molar Refractivity | 55.09600000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 164.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 164.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16N2.
