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4,9-Dioxa-1,12-Dodecanediamine
CAS: 7300-34-7 | C10H24N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7300-34-7
Molecular Formula:
C10H24N2O2
Molecular Mass:
204.31 g/mol
Names and Synonyms:
4,9-Dioxa-1,12-Dodecanediamine
1-Propanamine, 3,3′-[1,4-butanediylbis(oxy)]bis-
Propylamine, 3,3′-(tetramethylenedioxy)bis-
3,3′-[1,4-Butanediylbis(oxy)]bis[1-propanamine]
α,ω-Diamino-4,9-dioxadodecane
1,4-Butanediol bis(3-aminopropyl) ether
1,4-Bis(3-aminopropoxy)butane
3,3′-(Tetramethylenedioxy)bis(propylamine)
1,4-Bis(γ-aminopropoxy)butane
4,9-Dioxa-1,12-dodecanediamine
3,3′-(Tetramethylenedioxy)di(propanamine)
1,12-Diamino-4,9-dioxadodecane
4,9-Dioxa-1,12-diaminododecane
NSC 36635
1,12-Diamine-4,9-dioxadodecane
B 12
Baxxodur EC 280
EC 280
NDPA 12
3,3′-(Butane-1,4-diylbis(oxy))bis(propan-1-amine)
Identifiers:
SMILES:
NCCCOCCCCOCCCN
InChI:
InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2
Key Properties
Boiling Point
125-130 °C @ Press: 4 Torr
CAS Common Chemistry
Density
0.93 g/cm³
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 | 204.31 g/mol | CAS Common Chemistry |
| 204.31399999999994 g/mol | RDKit | |
| 204.183778008 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9324 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 125-130 °C @ Press: 4 Torr | 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 |
| Molar Refractivity | 58.21480000000004 | RDKit |
