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Molecule
4,7,10-Trioxatridecane-1,13-Diamine
CAS: 4246-51-9 · C10H24N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4246-51-9
- Molecular Formula
- C10H24N2O3
- Molecular Mass
- 220.31 g/mol
Identifiers
CAS Registry Number
4246-51-9
SMILES
NCCCOCCOCCOCCCN
InChI Key
JCEZOHLWDIONSP-UHFFFAOYSA-N
InChI
InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2
Names and Synonyms
- 4,7,10-Trioxatridecane-1,13-Diamine Synonym
- 1-Propanamine, 3,3′-[oxybis(2,1-ethanediyloxy)]bis- Synonym
- Propylamine, 3,3′-[oxybis(ethyleneoxy)]bis- Synonym
- 3,3′-[Oxybis(2,1-ethanediyloxy)]bis[1-propanamine] Synonym
- Diethylene glycol bis(3-aminopropyl) ether Synonym
- 4,7,10-Trioxatridecane-1,13-diamine Synonym
- 1,13-Diamino-4,7,10-trioxatridecane Synonym
- Q 19262 Synonym
- 4,7,10-Trioxa-1,13-tridecanamine Synonym
- Bis[2-(3-aminopropoxy)ethyl] ether Synonym
- DPA-DEG Synonym
- Ancamine 1922 Synonym
- O,O′-Bis(3-aminopropyl)diethylene glycol Synonym
- 3,3′-[Oxybis(ethane-2,1-diyloxy)]dipropan-1-amine Synonym
- Ancamine 1922A Synonym
- 3,3′-((Oxybis(ethane-2,1-diyl))bis(oxy))bis(propan-1-amine) Synonym
- 3-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]propan-1-amine Synonym
- TTD Synonym
- 4,7,10-Trioxa-1,1,3-tridecanediamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.31 g/mol | CAS Common Chemistry |
| 220.31299999999993 g/mol | RDKit | |
| 220.313 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0110 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(CCOCCCN)CCOCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCEZOHLWDIONSP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,7,10-Trioxatridecane-1,13-diamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.73 Ų | RDKit |
| LogP | -0.2661999999999983 | RDKit |
| -0.2662 | RDKit | |
| Molar Refractivity | 59.79980000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 220.178692628 g/mol | RDKit |
| Boiling Point | 108-115 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 220.31 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
