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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
Names and Synonyms:
Bis(Salicylidene)-1,3-Propanediamine
Phenol, 2,2′-[1,3-propanediylbis(nitrilomethylidyne)]bis-
o-Cresol, α,α′-(trimethylenedinitrilo)di-
2,2′-[1,3-Propanediylbis(nitrilomethylidyne)]bis[phenol]
Disalicylidenepropanediamine
α,α′-(Trimethylenedinitrilo)di-o-cresol
DSPD
1,3-Bis(o-hydroxybenzylideneamino)propane
Disalicylidene-1,3-propanediamine
N,N′-Bis(salicylidene)-1,3-propylenediamine
N,N′-1,3-Propylenebis(salicylideneamine)
1,3-Propanediylbis(salicylaldimine)
N,N′-Bis(salicylidene)-1,3-propanediamine
Bis(salicylidene)-1,3-propanediamine
N,N′-Disalicylidene-1,3-diaminopropane
N,N′-Bis(salicylidene)-1,3-diaminopropane
N,N′-Trimethylenebis(salicylaldehyde imine)
N,N′-Bis(salicylidene)trimethylenediamine
1,3-Bis(salicylideneamino)propane
NSC 166332
1,3-Bis[[(2-hydroxyphenyl)methylene]amino]propane
1,7-Bis(2-hydroxyphenyl)-2,6-diaza-hepta-1,6-diene
1,3-Diamino-N,N′-bis(salicylidene)propane
Salpn
N,N′-Disalicylidene propane diamine
Identifiers:
SMILES:
Oc1ccccc1C=NCCCN=Cc1ccccc1O
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
Key Properties
Melting Point
52 °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 | |
| 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 |
| Molar Refractivity | 85.75260000000003 | RDKit |
