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N,N-Dimethyl-2-Naphthalenamine
CAS: 2436-85-3 | C12H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2436-85-3
Molecular Formula:
C12H13N
Molecular Mass:
171.24 g/mol
Names and Synonyms:
N,N-Dimethyl-2-Naphthalenamine
2-Naphthalenamine, N,N-dimethyl-
2-Naphthylamine, N,N-dimethyl-
N,N-Dimethyl-2-naphthalenamine
N,N-Dimethyl-2-naphthylamine
N,N-Dimethyl-β-naphthylamine
2-Dimethylaminonaphthalene
Identifiers:
SMILES:
CN(C)c1ccc2ccccc2c1
InChI:
InChI=1S/C12H13N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
Key Properties
Boiling Point
305 °C
CAS Common Chemistry
Melting Point
52.5 °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 | 171.24 g/mol | CAS Common Chemistry |
| 171.24299999999997 g/mol | RDKit | |
| 171.104799416 g/mol | RDKit | |
| Boiling Point | 305 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C(C=CC2C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IKZPRXHVTFNIEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.5 °C | CAS Common Chemistry |
| Name | N,N-Dimethyl-2-naphthalenamine | 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 | 58.27500000000003 | RDKit |
