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2-(Dibutylamino)Ethanol
CAS: 102-81-8 | C10H23NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-81-8
Molecular Formula:
C10H23NO
Molecular Mass:
173.30 g/mol
Names and Synonyms:
2-(Dibutylamino)Ethanol
Ethanol, 2-(dibutylamino)-
2-(Dibutylamino)ethanol
Dibutylaminoethanol
N,N-Dibutylethanolamine
N,N-Dibutyl-N-(2-hydroxyethyl)amine
N,N-Dibutylaminoethanol
Dibutylethanolamine
N,N-Dibutyl-2-hydroxyethylamine
N-(2-Hydroxyethyl)dibutylamine
NSC 6330
2-Di-N-butylaminoethyl alcohol
Amino Alcohol 2B
2-(Dibutylamino)ethan-1-ol
Identifiers:
SMILES:
CCCCN(CCO)CCCC
InChI:
InChI=1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
Key Properties
Boiling Point
222-232 °C
CAS Common Chemistry
Melting Point
-70 °C
CAS Common Chemistry
Density
0.90 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 | 173.30 g/mol | CAS Common Chemistry |
| 173.29999999999995 g/mol | RDKit | |
| 173.177964356 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 222-232 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IWSZDQRGNFLMJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | 2-(Dibutylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 1.8809 | RDKit |
| Molar Refractivity | 53.341800000000035 | RDKit |
