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Molecule
Lauryldiethanolamine
CAS: 1541-67-9 · C16H35NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1541-67-9
- Molecular Formula
- C16H35NO2
- Molecular Mass
- 273.46 g/mol
Identifiers
CAS Registry Number
1541-67-9
SMILES
CCCCCCCCCCCCN(CCO)CCO
InChI Key
NKFNBVMJTSYZDV-UHFFFAOYSA-N
InChI
InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19/h18-19H,2-16H2,1H3
Names and Synonyms
- Lauryldiethanolamine Synonym
- Ethanol, 2,2′-(dodecylimino)bis- Synonym
- Ethanol, 2,2′-(dodecylimino)di- Synonym
- 2,2′-(Dodecylimino)bis[ethanol] Synonym
- N,N-Bis(2-hydroxyethyl)laurylamine Synonym
- Dodecylbis(hydroxyethyl)amine Synonym
- N-Dodecyldiethanolamine Synonym
- Lauryldiethanolamine Synonym
- Bis(hydroxyethyl)dodecylamine Synonym
- N,N-Bis(hydroxyethyl)laurylamine Synonym
- Dodecyldiethanolamine Synonym
- 2,2′-(Dodecylimino)diethanol Synonym
- Bis(β-hydroxyethyl)laurylamine Synonym
- 2,2′-(Laurylimino)diethanol Synonym
- N,N-Bis(2-hydroxyethyl)dodecylamine Synonym
- Dodecylbis(2-hydroxyethyl)amine Synonym
- Bis(2-hydroxyethyl)dodecylamine Synonym
- N-Lauryldiethanolamine Synonym
- N,N-Bis(2-hydroxyethyl)lauramine Synonym
- Bis(2-hydroxyethyl)laurylamine Synonym
- N,N-Bis(hydroxyethyl)dodecanamine Synonym
- N,N-Di(hydroxyethyl)laurylamine Synonym
- NSC 525737 Synonym
- Elest EA Synonym
- TB 128K Synonym
- Fentacare 1202 Synonym
- N-Lauryl-N,N-diethanolamine Synonym
- Dodecyldiethoxylamine Synonym
- N,N-Dihydroxyethyl-1-Dodecanamine Synonym
- 2,2′-(Dodecylazanediyl)diethanol Synonym
- 2-[Dodecyl(2-hydroxyethyl)amino]ethan-1-ol Synonym
- 2-[Dodecyl(2-hydroxyethyl)amino]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.46 g/mol | CAS Common Chemistry |
| 273.46099999999996 g/mol | RDKit | |
| 273.461 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9221 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCN(CCO)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19/h18-19H,2-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NKFNBVMJTSYZDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 18.7-20.9 °C | CAS Common Chemistry |
| Name | Lauryldiethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.7 Ų | RDKit |
| 43.47 Ų | chempirical lib | |
| LogP | 3.1939000000000024 | RDKit |
| 3.1939 | RDKit | |
| Molar Refractivity | 82.45560000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 273.26677936 g/mol | RDKit |
| Boiling Point | 190-200 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
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MW = 273.46 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
