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Molecule
Bis(Salicylidene)-1,3-Propanediamine
CAS: 120-70-7 · C17H18N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 120-70-7
- Molecular Formula
- C17H18N2O2
- Molecular Mass
- 282.34 g/mol
Identifiers
CAS Registry Number
120-70-7
SMILES
Oc1ccccc1C=NCCCN=Cc1ccccc1O
InChI Key
KLDZYURQCUYZBL-UHFFFAOYSA-N
InChI
InChI=1S/C17H18N2O2/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21/h1-4,6-9,12-13,20-21H,5,10-11H2
Names and Synonyms
- Bis(Salicylidene)-1,3-Propanediamine Synonym
- Phenol, 2,2′-[1,3-propanediylbis(nitrilomethylidyne)]bis- Synonym
- o-Cresol, α,α′-(trimethylenedinitrilo)di- Synonym
- 2,2′-[1,3-Propanediylbis(nitrilomethylidyne)]bis[phenol] Synonym
- Disalicylidenepropanediamine Synonym
- α,α′-(Trimethylenedinitrilo)di-o-cresol Synonym
- DSPD Synonym
- 1,3-Bis(o-hydroxybenzylideneamino)propane Synonym
- Disalicylidene-1,3-propanediamine Synonym
- N,N′-Bis(salicylidene)-1,3-propylenediamine Synonym
- N,N′-1,3-Propylenebis(salicylideneamine) Synonym
- 1,3-Propanediylbis(salicylaldimine) Synonym
- N,N′-Bis(salicylidene)-1,3-propanediamine Synonym
- Bis(salicylidene)-1,3-propanediamine Synonym
- N,N′-Disalicylidene-1,3-diaminopropane Synonym
- N,N′-Bis(salicylidene)-1,3-diaminopropane Synonym
- N,N′-Trimethylenebis(salicylaldehyde imine) Synonym
- N,N′-Bis(salicylidene)trimethylenediamine Synonym
- 1,3-Bis(salicylideneamino)propane Synonym
- NSC 166332 Synonym
- 1,3-Bis[[(2-hydroxyphenyl)methylene]amino]propane Synonym
- 1,7-Bis(2-hydroxyphenyl)-2,6-diaza-hepta-1,6-diene Synonym
- 1,3-Diamino-N,N′-bis(salicylidene)propane Synonym
- Salpn Synonym
- N,N′-Disalicylidene propane diamine 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 | |
| Canonical SMILES | OC=1C=CC=CC1C=NCCCN=CC=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C17H18N2O2/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21/h1-4,6-9,12-13,20-21H,5,10-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KLDZYURQCUYZBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52 °C | CAS Common Chemistry |
| Name | Bis(salicylidene)-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 3.0259000000000023 | RDKit |
| 3.0259 | RDKit | |
| Molar Refractivity | 85.75260000000003 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...
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200 ppm
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| 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.
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MW = 282.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H18N2O2.
