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1,8-Diaminonaphthalene
CAS: 479-27-6 | C10H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
479-27-6
Molecular Formula:
C10H10N2
Molecular Mass:
158.20 g/mol
Names and Synonyms:
1,8-Diaminonaphthalene
1,8-Naphthalenediamine
1,8-Diaminonaphthalene
1,8-Naphthylenediamine
NSC 6081
1,8-Diamine naphthaline
Identifiers:
SMILES:
Nc1cccc2cccc(N)c12
InChI:
InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2
Key Properties
Boiling Point
205 °C
CAS Common Chemistry
Melting Point
66.5 °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 | 158.20 g/mol | CAS Common Chemistry |
| 158.20399999999998 g/mol | RDKit | |
| 158.08439832 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,8-Diaminonaphthalene | CAS Common Chemistry |
| Boiling Point | 205 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=CC=2C=CC=C(N)C12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YFOOEYJGMMJJLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66.5 °C | CAS Common Chemistry |
| Name | 1,8-Diaminonaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 2.0042 | RDKit |
| Molar Refractivity | 52.772800000000004 | RDKit |
