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Methyl Diethanolamine
CAS: 105-59-9 | C5H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-59-9
Molecular Formula:
C5H13NO2
Molecular Mass:
119.16 g/mol
Names and Synonyms:
Methyl Diethanolamine
NSC 51500
Ethanol, 2,2′-(methylimino)bis-
Ethanol, 2,2′-(methylimino)di-
2,2′-(Methylimino)bis[ethanol]
Methyldiethanolamine
N-Methyldiethanolamine
N-Methyliminodiethanol
2,2′-(Methylimino)diethanol
N,N-Bis(2-hydroxyethyl)methylamine
Methylbis(2-hydroxyethyl)amine
Methyliminodiethanol
Diethanolmethylamine
N-Methylaminodiglycol
MDEA
Eve
N-(2-Hydroxyethyl)-N-methylethanolamine
N-Methylbis(2-hydroxyethyl)amine
MDEA (diol)
Jefftreat MS 100
NSC 11690
NSC 49131
2-[(2-Hydroxyethyl)(methyl)amino]ethanol
N,N-Di(2-hydroxyethyl)-N-methylamine
Gas Spec CS 2000
N,N-Di(2-hydroxyethyl)methylamine
Amino Alcohol MDA
N-Methyl-N,N-diethanolamine
ZC 10
N-Methyl-N,N-bis(2-hydroxyethyl)amine
N,N-Di(2-hydroxyethyl)methanamine
Bis(2-hydroxyethyl)-N-methylamine
2-[(2-Hydroxyethyl)(methyl)amino]ethan-1-ol
Genocure MDEA
Identifiers:
SMILES:
CN(CCO)CCO
InChI:
InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
Key Properties
Boiling Point
247 °C
CAS Common Chemistry
Melting Point
-21 °C
CAS Common Chemistry
Density
1.04 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 | 119.16 g/mol | CAS Common Chemistry |
| 119.16399999999999 g/mol | RDKit | |
| 119.094628656 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0377 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_diethanolamine | CAS Common Chemistry |
| Boiling Point | 247 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(C)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CRVGTESFCCXCTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -21 °C | CAS Common Chemistry |
| Name | N-Methyldiethanolamine | CAS Common Chemistry |
| Methyl diethanolamine | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.7 Ų | RDKit |
| LogP | -1.0972000000000002 | RDKit |
| Molar Refractivity | 31.668599999999984 | RDKit |
