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Molecule
N,N-Dimethyl-2-Naphthalenamine
CAS: 2436-85-3 · C12H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2436-85-3
- Molecular Formula
- C12H13N
- Molecular Mass
- 171.24 g/mol
Identifiers
CAS Registry Number
2436-85-3
SMILES
CN(C)c1ccc2ccccc2c1
InChI Key
IKZPRXHVTFNIEK-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
Names and Synonyms
- N,N-Dimethyl-2-Naphthalenamine Synonym
- 2-Naphthalenamine, N,N-dimethyl- Synonym
- 2-Naphthylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-2-naphthalenamine Synonym
- N,N-Dimethyl-2-naphthylamine Synonym
- N,N-Dimethyl-β-naphthylamine Synonym
- 2-Dimethylaminonaphthalene 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 | |
| Boiling Point | 305 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C(C=CC2C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IKZPRXHVTFNIEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.5 °C | CAS Common Chemistry |
| Name | N,N-Dimethyl-2-naphthalenamine | 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 | 58.27500000000003 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...
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200 ppm
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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.
