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Molecule
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
Identifiers
CAS Registry Number
102-81-8
SMILES
CCCCN(CCO)CCCC
InChI Key
IWSZDQRGNFLMJS-UHFFFAOYSA-N
InChI
InChI=1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
Names and Synonyms
- 2-(Dibutylamino)Ethanol Systematic Name
- Ethanol, 2-(dibutylamino)- Synonym
- 2-(Dibutylamino)ethanol Synonym
- Dibutylaminoethanol Synonym
- N,N-Dibutylethanolamine Synonym
- N,N-Dibutyl-N-(2-hydroxyethyl)amine Synonym
- N,N-Dibutylaminoethanol Synonym
- Dibutylethanolamine Synonym
- N,N-Dibutyl-2-hydroxyethylamine Synonym
- N-(2-Hydroxyethyl)dibutylamine Synonym
- NSC 6330 Synonym
- 2-Di-N-butylaminoethyl alcohol Synonym
- Amino Alcohol 2B Synonym
- 2-(Dibutylamino)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.30 g/mol | CAS Common Chemistry |
| 173.29999999999995 g/mol | RDKit | |
| 173.3 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 1.8809 | RDKit |
| Molar Refractivity | 53.341800000000035 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 173.177964356 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 173.30 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
