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Molecule
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
Identifiers
CAS Registry Number
94-91-7
SMILES
CC(CN=Cc1ccccc1O)N=Cc1ccccc1O
InChI Key
RURPJGZXBHYNEM-UHFFFAOYSA-N
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
Names and Synonyms
- Salpn Ligand Common Name
- Phenol, 2,2′-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis- Synonym
- o-Cresol, α,α′-(propylenedinitrilo)di- Synonym
- 2,2′-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol] Synonym
- Tenamene 60 Synonym
- N,N′-Disalicylidene-1,2-diaminopropane Synonym
- N,N′-Disalicylidene-1,2-propanediamine Synonym
- N,N′-Bis(salicylidene)-1,2-diaminopropane Synonym
- N,N′-Disalicylidene-1,2-propylenediamine Synonym
- DMD Synonym
- Cuvan 80 Synonym
- N,N′-Propylenebis(salicylideneimine) Synonym
- Keromet MD Synonym
- Metal Deactivator 2 Synonym
- N,N′-1,2-Propylenebis(salicylideneamine) Synonym
- Sekurisu AK 24M Synonym
- NSC 67004 Synonym
- NSC 68420 Synonym
- KMD 80 Synonym
- Dailube G 25 Synonym
- Ethanox 4705 Synonym
- N,N′-Bis(salicylidene)propane-1,2-diamine Synonym
- T 1201 Synonym
- N′,N-Bis(salicylidene)-1,2-propanediamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.34 g/mol | CAS Common Chemistry |
| 282.343 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 |
| 3.0243 | RDKit | |
| Molar Refractivity | 85.73060000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 282.136827816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 282.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H18N2O2.
