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Molecule
4,9-Dioxa-1,12-Dodecanediamine
CAS: 7300-34-7 · C10H24N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7300-34-7
- Molecular Formula
- C10H24N2O2
- Molecular Mass
- 204.31 g/mol
Identifiers
CAS Registry Number
7300-34-7
SMILES
NCCCOCCCCOCCCN
InChI Key
YOOSAIJKYCBPFW-UHFFFAOYSA-N
InChI
InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2
Names and Synonyms
- 4,9-Dioxa-1,12-Dodecanediamine Synonym
- 1-Propanamine, 3,3′-[1,4-butanediylbis(oxy)]bis- Synonym
- Propylamine, 3,3′-(tetramethylenedioxy)bis- Synonym
- 3,3′-[1,4-Butanediylbis(oxy)]bis[1-propanamine] Synonym
- α,ω-Diamino-4,9-dioxadodecane Synonym
- 1,4-Butanediol bis(3-aminopropyl) ether Synonym
- 1,4-Bis(3-aminopropoxy)butane Synonym
- 3,3′-(Tetramethylenedioxy)bis(propylamine) Synonym
- 1,4-Bis(γ-aminopropoxy)butane Synonym
- 4,9-Dioxa-1,12-dodecanediamine Synonym
- 3,3′-(Tetramethylenedioxy)di(propanamine) Synonym
- 1,12-Diamino-4,9-dioxadodecane Synonym
- 4,9-Dioxa-1,12-diaminododecane Synonym
- NSC 36635 Synonym
- 1,12-Diamine-4,9-dioxadodecane Synonym
- B 12 Synonym
- Baxxodur EC 280 Synonym
- EC 280 Synonym
- NDPA 12 Synonym
- 3,3′-(Butane-1,4-diylbis(oxy))bis(propan-1-amine) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.31 g/mol | CAS Common Chemistry |
| 204.31399999999994 g/mol | RDKit | |
| 204.314 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9324 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(CCCN)CCCCOCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YOOSAIJKYCBPFW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,9-Dioxa-1,12-dodecanediamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.5 Ų | RDKit |
| LogP | 0.4974000000000006 | RDKit |
| 0.4974 | RDKit | |
| Molar Refractivity | 58.21480000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 204.183778008 g/mol | RDKit |
| Boiling Point | 125-130 °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 |
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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.
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MW = 204.31 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
