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3-(Dodecyloxy)Propylamine
CAS: 7617-74-5 | C15H33NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7617-74-5
Molecular Formula:
C15H33NO
Molecular Mass:
243.43 g/mol
Names and Synonyms:
3-(Dodecyloxy)Propylamine
1-Propanamine, 3-(dodecyloxy)-
Propylamine, 3-(dodecyloxy)-
3-(Dodecyloxy)-1-propanamine
3-(Dodecyloxy)propylamine
3-(Lauryloxy)propylamine
3-(Dodecyloxy)propanamine
3-Aminopropyl dodecyl ether
Laurixamine
NSC 166448
Adogen 182
Dodecyl 3-aminopropyl ether
3-Dodecoxypropan-1-amine
Identifiers:
SMILES:
CCCCCCCCCCCCOCCCN
InChI:
InChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3
Key Properties
Boiling Point
140 °C @ Press: 3 Torr
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 | 243.43 g/mol | CAS Common Chemistry |
| 243.43499999999992 g/mol | RDKit | |
| 243.256214676 g/mol | RDKit | |
| Boiling Point | 140 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CCCN)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZRJOUVOXPWNFOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(Dodecyloxy)propylamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 4.272700000000002 | RDKit |
| Molar Refractivity | 76.33440000000006 | RDKit |
