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N-[4-(3,4-Dichlorophenyl)-3,4-Dihydro-1(2H)-Naphthalenylidene]Methanamine
CAS: 79560-20-6 | C17H15Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79560-20-6
Molecular Formula:
C17H15Cl2N
Molecular Mass:
304.22 g/mol
Names and Synonyms:
N-[4-(3,4-Dichlorophenyl)-3,4-Dihydro-1(2H)-Naphthalenylidene]Methanamine
Methanamine, N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]-
N-[4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamine
Identifiers:
SMILES:
CN=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChI:
InChI=1S/C17H15Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3
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 | 304.22 g/mol | CAS Common Chemistry |
| 303.05815484 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(C=C1Cl)C2C=3C=CC=CC3C(=NC)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H15Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MGBVAZJASCWJGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.36 Ų | RDKit |
| LogP | 5.3380000000000045 | RDKit |
| Molar Refractivity | 86.44200000000004 | RDKit |
