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N,N-Dibutyl-3-Aminophenol
CAS: 43141-69-1 | C14H23NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
43141-69-1
Molecular Formula:
C14H23NO
Molecular Mass:
221.34 g/mol
Names and Synonyms:
N,N-Dibutyl-3-Aminophenol
m-(Dibutylamino)phenol
Phenol, 3-(dibutylamino)-
3-(Dibutylamino)phenol
N,N-Dibutyl-m-aminophenol
N,N-Di-n-butyl-m-aminophenol
N,N-Dibutyl-3-aminophenol
3-Hydroxy-N,N-dibutylaniline
3-(N,N-Dibutylamino)phenol
N,N-Dibutyl-3-hydroxyaniline
Identifiers:
SMILES:
CCCCN(CCCC)c1cccc(O)c1
InChI:
InChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3
Key Properties
Boiling Point
184-186 °C @ Press: 12 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 | 221.34 g/mol | CAS Common Chemistry |
| 221.344 g/mol | RDKit | |
| 221.177964356 g/mol | RDKit | |
| Boiling Point | 184-186 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)N(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KHSTZMGCKHBFJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dibutyl-3-aminophenol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 3.7988000000000026 | RDKit |
| Molar Refractivity | 70.13580000000005 | RDKit |
