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N-Methylethanolamine
CAS: 109-83-1 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 109-83-1
- Molecular Formula
- C3H9NO
- Molecular Mass
- 75.11 g/mol
Identifiers
CAS Registry Number
109-83-1
SMILES
CNCCO
InChI Key
OPKOKAMJFNKNAS-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
Names and Synonyms
- N-Methylethanolamine Synonym
- Ethanol, 2-(methylamino)- Synonym
- 2-(Methylamino)ethanol Synonym
- β-(Methylamino)ethanol Synonym
- N-Methylethanolamine Synonym
- Methylethylolamine Synonym
- Methyl(β-hydroxyethyl)amine Synonym
- N-Monomethylaminoethanol Synonym
- Monomethylethanolamine Synonym
- N-Methylmonoethanolamine Synonym
- 2-N-Monomethylaminoethanol Synonym
- Methylethanolamine Synonym
- Methylaminoethanol Synonym
- Monomethylaminoethanol Synonym
- Monomethylmonoethanolamine Synonym
- (2-Hydroxyethyl)methylamine Synonym
- N-Methyl-N-hydroxyethylamine Synonym
- Methyl(hydroxyethyl)amine Synonym
- N-Methylaminoethanol Synonym
- N-Methyl-N-(2-hydroxyethyl)amine Synonym
- N-Methyl-2-aminoethanol Synonym
- N-Methyl-2-hydroxyethylamine Synonym
- (Hydroxyethyl)methylamine Synonym
- 2-(N-Methylamino)ethanol Synonym
- Methyl(2-hydroxyethyl)amine Synonym
- N-(2-Hydroxyethyl)methylamine Synonym
- N-Methyl-2-ethanolamine Synonym
- 2-Hydroxy-N-methylethylamine Synonym
- N-Methyl-N-(β-hydroxyethyl)amine Synonym
- N-Monomethylethanolamine Synonym
- Amietol M 11 Synonym
- 2-Hydroxyethyl-N-methylamine Synonym
- 2-Methylamino-1-ethanol Synonym
- NMEA Synonym
- N-(2-Hydroxyethyl)-N-methylamine Synonym
- NSC 62776 Synonym
- Amino Alcohol MMA Synonym
- N-Methyl-2-hydroxyethanamine Synonym
- Yubao Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.11 g/mol | CAS Common Chemistry |
| 75.11099999999999 g/mol | RDKit | |
| 75.111 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.937 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methylethanolamine | CAS Common Chemistry |
| Canonical SMILES | OCCNC | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OPKOKAMJFNKNAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4.5 °C | CAS Common Chemistry |
| Name | 2-(Methylamino)ethanol | CAS Common Chemistry |
| N-Methylethanolamine | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | -0.8019000000000001 | RDKit |
| -0.8019 | RDKit | |
| Molar Refractivity | 21.012499999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 75.068413908 g/mol | RDKit |
| Boiling Point | 155-156 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C3H9NO.
