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Salpn Ligand
CAS: 94-91-7 | C17H18N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
94-91-7
Molecular Formula:
C17H18N2O2
Molecular Mass:
282.34 g/mol
Names and Synonyms:
Salpn Ligand
Phenol, 2,2′-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-
o-Cresol, α,α′-(propylenedinitrilo)di-
2,2′-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]
Tenamene 60
N,N′-Disalicylidene-1,2-diaminopropane
N,N′-Disalicylidene-1,2-propanediamine
N,N′-Bis(salicylidene)-1,2-diaminopropane
N,N′-Disalicylidene-1,2-propylenediamine
DMD
Cuvan 80
N,N′-Propylenebis(salicylideneimine)
Keromet MD
Metal Deactivator 2
N,N′-1,2-Propylenebis(salicylideneamine)
Sekurisu AK 24M
NSC 67004
NSC 68420
KMD 80
Dailube G 25
Ethanox 4705
N,N′-Bis(salicylidene)propane-1,2-diamine
T 1201
N′,N-Bis(salicylidene)-1,2-propanediamine
Identifiers:
SMILES:
CC(CN=Cc1ccccc1O)N=Cc1ccccc1O
InChI:
InChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3
Key Properties
Melting Point
45.1-45.9 °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 | 282.34 g/mol | CAS Common Chemistry |
| 282.343 g/mol | RDKit | |
| 282.136827816 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Salpn_ligand | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=CC1C=NCC(N=CC=2C=CC=CC2O)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RURPJGZXBHYNEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45.1-45.9 °C | CAS Common Chemistry |
| Name | N,N′-Disalicylidene-1,2-propanediamine | CAS Common Chemistry |
| Salpn ligand | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 3.0243000000000015 | RDKit |
| Molar Refractivity | 85.73060000000004 | RDKit |
