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4-[2-(Dimethylamino)Ethoxy]Benzenemethanamine
CAS: 20059-73-8 | C11H18N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20059-73-8
Molecular Formula:
C11H18N2O
Molecular Mass:
194.28 g/mol
Names and Synonyms:
4-[2-(Dimethylamino)Ethoxy]Benzenemethanamine
Benzenemethanamine, 4-[2-(dimethylamino)ethoxy]-
Benzylamine, p-[2-(dimethylamino)ethoxy]-
4-[2-(Dimethylamino)ethoxy]benzenemethanamine
NSC 37857
4-[2-(Dimethylamino)ethoxy]benzylamine
2-[4-(Aminomethyl)phenoxy]-N,N-dimethylethanamine
[2-(4-Aminomethyl-phenoxy)-ethyl]-dimethyl-amine
[4-[2-(Dimethylamino)ethoxy]phenyl]methanamine
[2-[(4-Aminomethylphenyl)oxy]ethyl]dimethylamine
Identifiers:
SMILES:
CN(C)CCOc1ccc(CN)cc1
InChI:
InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
Key Properties
Boiling Point
120-123 °C @ Press: 0.3 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 | 194.28 g/mol | CAS Common Chemistry |
| 194.27799999999996 g/mol | RDKit | |
| 194.141913196 g/mol | RDKit | |
| Boiling Point | 120-123 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)CN)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OBHPRQNPNGQGCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-[2-(Dimethylamino)ethoxy]benzenemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.49 Ų | RDKit |
| LogP | 1.0856999999999997 | RDKit |
| Molar Refractivity | 58.38240000000004 | RDKit |
