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N,N-Diethyl-1-Naphthalenamine
CAS: 84-95-7 | C14H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84-95-7
Molecular Formula:
C14H17N
Molecular Mass:
199.30 g/mol
Names and Synonyms:
N,N-Diethyl-1-Naphthalenamine
1-Naphthalenamine, N,N-diethyl-
1-Naphthylamine, N,N-diethyl-
N,N-Diethyl-1-naphthalenamine
N,N-Diethyl-1-naphthylamine
N,N-Diethyl-α-naphthylamine
1-(Diethylamino)naphthalene
NSC 6340
Identifiers:
SMILES:
CCN(CC)c1cccc2ccccc12
InChI:
InChI=1S/C14H17N/c1-3-15(4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
Key Properties
Boiling Point
285 °C
CAS Common Chemistry
Density
1.02 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 | 199.30 g/mol | CAS Common Chemistry |
| 199.297 g/mol | RDKit | |
| 199.136099544 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.015 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 285 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=CC=C2N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C14H17N/c1-3-15(4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XLEMRIJDZGESRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyl-1-naphthalenamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 3.6860000000000026 | RDKit |
| Molar Refractivity | 67.50900000000004 | RDKit |
