Back to Search
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 Weight:
75.11099999999999 g/mol
Names and Synonyms:
N-Methylethanolamine
Ethanol, 2-(methylamino)-
2-(Methylamino)ethanol
β-(Methylamino)ethanol
N-Methylethanolamine
Methylethylolamine
Methyl(β-hydroxyethyl)amine
N-Monomethylaminoethanol
Monomethylethanolamine
N-Methylmonoethanolamine
2-N-Monomethylaminoethanol
Methylethanolamine
Methylaminoethanol
Monomethylaminoethanol
Monomethylmonoethanolamine
(2-Hydroxyethyl)methylamine
N-Methyl-N-hydroxyethylamine
Methyl(hydroxyethyl)amine
N-Methylaminoethanol
N-Methyl-N-(2-hydroxyethyl)amine
N-Methyl-2-aminoethanol
N-Methyl-2-hydroxyethylamine
(Hydroxyethyl)methylamine
2-(N-Methylamino)ethanol
Methyl(2-hydroxyethyl)amine
N-(2-Hydroxyethyl)methylamine
N-Methyl-2-ethanolamine
2-Hydroxy-N-methylethylamine
N-Methyl-N-(β-hydroxyethyl)amine
N-Monomethylethanolamine
Amietol M 11
2-Hydroxyethyl-N-methylamine
2-Methylamino-1-ethanol
NMEA
N-(2-Hydroxyethyl)-N-methylamine
NSC 62776
Amino Alcohol MMA
N-Methyl-2-hydroxyethanamine
Yubao
Identifiers:
SMILES:
CNCCO
InChI:
InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 75.11 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Methylethanolamine None | Legacy Database |
| cas-boiling-point | 155-156 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OCCNC None | Legacy Database |
| cas-density | 0.937 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OPKOKAMJFNKNAS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -4.5 °C None | Legacy Database |
| cas-name | 2-(Methylamino)ethanol None | Legacy Database |
| wikipedia-name | N-Methylethanolamine None | Legacy Database |
| LogP | -0.8019000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 75.11099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 75.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.26 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.012499999999996 | RDKit |
