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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
Names and Synonyms:
Lauryldiethanolamine
Ethanol, 2,2′-(dodecylimino)bis-
Ethanol, 2,2′-(dodecylimino)di-
2,2′-(Dodecylimino)bis[ethanol]
N,N-Bis(2-hydroxyethyl)laurylamine
Dodecylbis(hydroxyethyl)amine
N-Dodecyldiethanolamine
Lauryldiethanolamine
Bis(hydroxyethyl)dodecylamine
N,N-Bis(hydroxyethyl)laurylamine
Dodecyldiethanolamine
2,2′-(Dodecylimino)diethanol
Bis(β-hydroxyethyl)laurylamine
2,2′-(Laurylimino)diethanol
N,N-Bis(2-hydroxyethyl)dodecylamine
Dodecylbis(2-hydroxyethyl)amine
Bis(2-hydroxyethyl)dodecylamine
N-Lauryldiethanolamine
N,N-Bis(2-hydroxyethyl)lauramine
Bis(2-hydroxyethyl)laurylamine
N,N-Bis(hydroxyethyl)dodecanamine
N,N-Di(hydroxyethyl)laurylamine
NSC 525737
Elest EA
TB 128K
Fentacare 1202
N-Lauryl-N,N-diethanolamine
Dodecyldiethoxylamine
N,N-Dihydroxyethyl-1-Dodecanamine
2,2′-(Dodecylazanediyl)diethanol
2-[Dodecyl(2-hydroxyethyl)amino]ethan-1-ol
2-[Dodecyl(2-hydroxyethyl)amino]ethanol
Identifiers:
SMILES:
CCCCCCCCCCCCN(CCO)CCO
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
Key Properties
Boiling Point
190-200 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
18.7-20.9 °C
CAS Common Chemistry
Density
0.92 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 | 273.46 g/mol | CAS Common Chemistry |
| 273.46099999999996 g/mol | RDKit | |
| 273.26677936 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9221 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 190-200 °C @ Press: 3 Torr | 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 |
| LogP | 3.1939000000000024 | RDKit |
| Molar Refractivity | 82.45560000000006 | RDKit |
