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N,N-Dimethyl-1-Naphthylamine
CAS: 86-56-6 | C12H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-56-6
Molecular Formula:
C12H13N
Molecular Mass:
171.24 g/mol
Names and Synonyms:
N,N-Dimethyl-1-Naphthylamine
1-Naphthalenamine, N,N-dimethyl-
1-Naphthylamine, N,N-dimethyl-
N,N-Dimethyl-1-naphthalenamine
Dimethyl-α-naphthylamine
N,N-Dimethyl-α-naphthylamine
N,N-Dimethyl-1-naphthylamine
α-Dimethylaminonaphthalene
1-(Dimethylamino)naphthalene
Dimethyl(naphth-1-yl)amine
NSC 8713
Identifiers:
SMILES:
CN(C)c1cccc2ccccc12
InChI:
InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
Key Properties
Boiling Point
280 °C
CAS Common Chemistry
Melting Point
<25 °C
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 | 171.24 g/mol | CAS Common Chemistry |
| 171.24299999999997 g/mol | RDKit | |
| 171.104799416 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 |
| LogP | 2.905800000000001 | RDKit |
| Molar Refractivity | 58.275000000000034 | RDKit |
