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Molecule
N-Phenylnaphthalen-1-Amine
CAS: 90-30-2 · C16H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90-30-2
- Molecular Formula
- C16H13N
- Molecular Mass
- 219.29 g/mol
Identifiers
CAS Registry Number
90-30-2
SMILES
c1ccc(Nc2cccc3ccccc23)cc1
InChI Key
XQVWYOYUZDUNRW-UHFFFAOYSA-N
InChI
InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
Names and Synonyms
- N-Phenylnaphthalen-1-Amine Synonym
- 1-Naphthalenamine, N-phenyl- Synonym
- 1-Naphthylamine, N-phenyl- Synonym
- N-Phenyl-1-naphthalenamine Synonym
- C.I. 44050 Synonym
- Neozone A Synonym
- N-Phenyl-α-naphthylamine Synonym
- N-Phenyl-1-naphthylamine Synonym
- Nonox A Synonym
- Phenyl-1-naphthylamine Synonym
- Antioxidant PAN Synonym
- α-Naphthylphenylamine Synonym
- N-(1-Naphthyl)aniline Synonym
- Nonox AN Synonym
- N-Phenyl-1-aminonaphthalene Synonym
- Vulkanox PAN Synonym
- Nocrac PA Synonym
- PANA Synonym
- 1-Anilinonaphthalene Synonym
- Antigene PA Synonym
- 1-(N-Phenylamino)naphthalene Synonym
- Amoco 32 Synonym
- 1-(Phenylamino)naphthalene Synonym
- Naugard PANA Synonym
- 1-Naphthylphenylamine Synonym
- Irganox L 05 Synonym
- N-(1-Naphthyl)-N-phenylamine Synonym
- T 531 Synonym
- T 531 (antioxidant) Synonym
- Antioxidant A Synonym
- NSC 2622 Synonym
- N-Phenyl-N-(1-naphthyl)amine Synonym
- N-Phenyl-N′-naphthylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.29 g/mol | CAS Common Chemistry |
| 219.287 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Phenylnaphthalen-1-amine | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)NC2=CC=CC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H | CAS Common Chemistry |
| InChI Key | InChIKey=XQVWYOYUZDUNRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61 °C | CAS Common Chemistry |
| Name | Phenyl-1-naphthylamine | CAS Common Chemistry |
| N-Phenylnaphthalen-1-amine | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 4.583400000000003 | RDKit |
| 4.5834 | RDKit | |
| Molar Refractivity | 73.67270000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 219.104799416 g/mol | RDKit |
| Boiling Point | 335 °C @ 558 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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| 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 = 219.29 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H13N.
