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Molecule
N,N-Dimethyl-1-Naphthylamine
CAS: 86-56-6 · C12H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86-56-6
- Molecular Formula
- C12H13N
- Molecular Mass
- 171.24 g/mol
Identifiers
CAS Registry Number
86-56-6
SMILES
CN(C)c1cccc2ccccc12
InChI Key
AJUXDFHPVZQOGF-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
Names and Synonyms
- N,N-Dimethyl-1-Naphthylamine Systematic Name
- 1-Naphthalenamine, N,N-dimethyl- Synonym
- 1-Naphthylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-1-naphthalenamine Synonym
- Dimethyl-α-naphthylamine Synonym
- N,N-Dimethyl-α-naphthylamine Synonym
- N,N-Dimethyl-1-naphthylamine Synonym
- α-Dimethylaminonaphthalene Synonym
- 1-(Dimethylamino)naphthalene Synonym
- Dimethyl(naphth-1-yl)amine Synonym
- NSC 8713 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.24 g/mol | CAS Common Chemistry |
| 171.24299999999997 g/mol | RDKit | |
| 171.243 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N-Dimethyl-1-naphthylamine | CAS Common Chemistry |
| Boiling Point | 280 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=CC=C2N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AJUXDFHPVZQOGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | N,N-Dimethyl-1-naphthylamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.905800000000001 | RDKit |
| 2.9058 | RDKit | |
| Molar Refractivity | 58.275000000000034 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 171.104799416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 171.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H13N.
