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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
Names and Synonyms:
N-Phenylnaphthalen-1-Amine
1-Naphthalenamine, N-phenyl-
1-Naphthylamine, N-phenyl-
N-Phenyl-1-naphthalenamine
C.I. 44050
Neozone A
N-Phenyl-α-naphthylamine
N-Phenyl-1-naphthylamine
Nonox A
Phenyl-1-naphthylamine
Antioxidant PAN
α-Naphthylphenylamine
N-(1-Naphthyl)aniline
Nonox AN
N-Phenyl-1-aminonaphthalene
Vulkanox PAN
Nocrac PA
PANA
1-Anilinonaphthalene
Antigene PA
1-(N-Phenylamino)naphthalene
Amoco 32
1-(Phenylamino)naphthalene
Naugard PANA
1-Naphthylphenylamine
Irganox L 05
N-(1-Naphthyl)-N-phenylamine
T 531
T 531 (antioxidant)
Antioxidant A
NSC 2622
N-Phenyl-N-(1-naphthyl)amine
N-Phenyl-N′-naphthylamine
Identifiers:
SMILES:
c1ccc(Nc2cccc3ccccc23)cc1
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
Key Properties
Boiling Point
335 °C @ Press: 558 Torr
CAS Common Chemistry
Melting Point
61 °C
CAS Common Chemistry
Density
1.20 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.29 g/mol | CAS Common Chemistry |
| 219.287 g/mol | RDKit | |
| 219.104799416 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 |
| Boiling Point | 335 °C @ Press: 558 Torr | 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 |
| Molar Refractivity | 73.67270000000003 | RDKit |
