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N-1-Naphthylethylenediamine Dihydrochloride
CAS: 1465-25-4 | C12H16Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1465-25-4
Molecular Formula:
C12H16Cl2N2
Molecular Mass:
259.18 g/mol
Names and Synonyms:
N-1-Naphthylethylenediamine Dihydrochloride
1,2-Ethanediamine, N1-1-naphthalenyl-, hydrochloride (1:2)
1,2-Ethanediamine, N-1-naphthalenyl-, dihydrochloride
Ethylenediamine, N-1-naphthyl-, dihydrochloride
N-1-Naphthylethylenediamine dihydrochloride
Bratton-Marshall reagent
Reagents, Bratton-Marshall
N-(1-Naphthyl)ethylendiamine dihydrochloride
NEDA
NEDA (amine)
N-Naphthylethylenediamine dihydrochloride
Identifiers:
SMILES:
Cl.Cl.NCCNc1cccc2ccccc12
InChI:
InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
Key Properties
Melting Point
188-190 °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 | 259.18 g/mol | CAS Common Chemistry |
| 259.18000000000006 g/mol | RDKit | |
| 258.069053872 g/mol | RDKit | |
| Canonical SMILES | Cl.NCCNC1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=MZNYWPRCVDMOJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188-190 °C | CAS Common Chemistry |
| Name | N-1-Naphthylethylenediamine dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 3.054000000000001 | RDKit |
| Molar Refractivity | 75.98810000000003 | RDKit |
