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Molecule
1,8-Bis(Dimethylamino)Naphthalene
CAS: 20734-58-1 · C14H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20734-58-1
- Molecular Formula
- C14H18N2
- Molecular Mass
- 214.31 g/mol
Identifiers
CAS Registry Number
20734-58-1
SMILES
CN(C)c1cccc2cccc(N(C)C)c12
InChI Key
GJFNRSDCSTVPCJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3
Names and Synonyms
- 1,8-Bis(Dimethylamino)Naphthalene Synonym
- 1,8-Naphthalenediamine, N1,N1,N8,N8-tetramethyl- Synonym
- 1,8-Naphthalenediamine, N,N,N′,N′-tetramethyl- Synonym
- N1,N1,N8,N8-Tetramethyl-1,8-naphthalenediamine Synonym
- 1,8-Bis(dimethylamino)naphthalene Synonym
- Proton sponge Synonym
- N,N,N′,N′-Tetramethyl-1,8-diaminonaphthalene Synonym
- N,N,N′,N′-Tetramethyl-1,8-naphthalenediamine Synonym
- 1,8-Bis(N,N-dimethylamino)naphthalene Synonym
- 1-N,1-N,8-N,8-N-Tetramethylnaphthalene-1,8-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.31 g/mol | CAS Common Chemistry |
| 214.31199999999995 g/mol | RDKit | |
| 214.312 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,8-Bis(dimethylamino)naphthalene | CAS Common Chemistry |
| Canonical SMILES | C=1C=C2C=CC=C(C2=C(C1)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GJFNRSDCSTVPCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C @ Solvent: Acetone | CAS Common Chemistry |
| Name | Proton sponge | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 2.9718000000000018 | RDKit |
| 2.9718 | RDKit | |
| 2.71 | chempirical lib | |
| Molar Refractivity | 72.60200000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 214.146998576 g/mol | RDKit |
| Boiling Point | 144-145 °C @ 4 Torr | CAS Common Chemistry |
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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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 = 214.31 g/mol. Edit any field — others recompute live.
