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Molecule
Methyl Diethanolamine
CAS: 105-59-9 · C5H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 105-59-9
- Molecular Formula
- C5H13NO2
- Molecular Mass
- 119.16 g/mol
Identifiers
CAS Registry Number
105-59-9
SMILES
CN(CCO)CCO
InChI Key
CRVGTESFCCXCTH-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
Names and Synonyms
- Methyl Diethanolamine Common Name
- N-Methyl-N,N-diethanolamine Synonym
- ZC 10 Synonym
- NSC 51500 Synonym
- Ethanol, 2,2′-(methylimino)bis- Synonym
- Ethanol, 2,2′-(methylimino)di- Synonym
- 2,2′-(Methylimino)bis[ethanol] Synonym
- Methyldiethanolamine Synonym
- N-Methyldiethanolamine Synonym
- N-Methyliminodiethanol Synonym
- 2,2′-(Methylimino)diethanol Synonym
- N,N-Bis(2-hydroxyethyl)methylamine Synonym
- Methylbis(2-hydroxyethyl)amine Synonym
- Methyliminodiethanol Synonym
- Diethanolmethylamine Synonym
- N-Methylaminodiglycol Synonym
- MDEA Synonym
- Eve Synonym
- N-(2-Hydroxyethyl)-N-methylethanolamine Synonym
- N-Methylbis(2-hydroxyethyl)amine Synonym
- MDEA (diol) Synonym
- Jefftreat MS 100 Synonym
- NSC 11690 Synonym
- NSC 49131 Synonym
- 2-[(2-Hydroxyethyl)(methyl)amino]ethanol Synonym
- N,N-Di(2-hydroxyethyl)-N-methylamine Synonym
- Gas Spec CS 2000 Synonym
- N,N-Di(2-hydroxyethyl)methylamine Synonym
- Amino Alcohol MDA Synonym
- N-Methyl-N,N-bis(2-hydroxyethyl)amine Synonym
- N,N-Di(2-hydroxyethyl)methanamine Synonym
- Bis(2-hydroxyethyl)-N-methylamine Synonym
- 2-[(2-Hydroxyethyl)(methyl)amino]ethan-1-ol Synonym
- Genocure MDEA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.16 g/mol | CAS Common Chemistry |
| 119.16399999999999 g/mol | RDKit | |
| 119.164 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0377 g/cm3 @ 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 |
| 43.47 Ų | chempirical lib | |
| LogP | -1.0972000000000002 | RDKit |
| -1.0972 | RDKit | |
| Molar Refractivity | 31.668599999999984 cm³/mol | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Exact Mass | 119.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 119.16 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO2.
