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Molecule
Template Talk:Chembox/Archive 9
CAS: 108-01-0 · C4H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-01-0
- Molecular Formula
- C4H11NO
- Molecular Mass
- 89.14 g/mol
Identifiers
CAS Registry Number
108-01-0
SMILES
CN(C)CCO
InChI Key
UEEJHVSXFDXPFK-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
Names and Synonyms
- Template Talk:Chembox/Archive 9 Common Name
- Ethanol, 2-(dimethylamino)- Synonym
- 2-(Dimethylamino)ethanol Synonym
- Deanol Synonym
- (N,N-Dimethylamino)ethanol Synonym
- β-Dimethylaminoethyl alcohol Synonym
- N,N-Dimethylethanolamine Synonym
- DMAE Synonym
- β-Hydroxyethyldimethylamine Synonym
- Bimanol Synonym
- β-(Dimethylamino)ethanol Synonym
- (Dimethylamino)ethanol Synonym
- Dimethyl(2-hydroxyethyl)amine Synonym
- Propamine A Synonym
- N-(2-Hydroxyethyl)dimethylamine Synonym
- 2-(N,N-Dimethylamino)ethanol Synonym
- (2-Hydroxyethyl)dimethylamine Synonym
- N,N-Dimethyl-2-aminoethanol Synonym
- Dimethylmonoethanolamine Synonym
- N,N-Dimethyl(2-hydroxyethyl)amine Synonym
- Norcholine Synonym
- N,N-Dimethyl-N-(β-hydroxyethyl)amine Synonym
- Dimethyl(hydroxyethyl)amine Synonym
- Kalpur P Synonym
- Amietol M 21 Synonym
- N,N-Dimethyl-β-hydroxyethylamine Synonym
- Dimethol Synonym
- Texacat DME Synonym
- Dimethylethanolamine Synonym
- Rexolin Synonym
- 2-(Dimethylamino)ethyl alcohol Synonym
- Thancat DME Synonym
- DMEA Synonym
- N-(2-Hydroxyethyl)-N,N-dimethylamine Synonym
- PC CAT DMEA Synonym
- Dabco DMEA Synonym
- NSC 2652 Synonym
- Aminoalcohol 2mabs Synonym
- Jeffcat DMEA Synonym
- Texacat DMEA Synonym
- Niax DMEA Synonym
- Lupragen N 101 Synonym
- Tegoamin DMEA Synonym
- T 80 Synonym
- N,N-Dimethyl-2-ethanolamine Synonym
- DeuAdd MA 95 Synonym
- MA 95 Synonym
- Dimethyl MEA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.14 g/mol | CAS Common Chemistry |
| 89.13799999999999 g/mol | RDKit | |
| 89.138 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8866 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Template_talk:Chembox/Archive_9 | CAS Common Chemistry |
| Canonical SMILES | OCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UEEJHVSXFDXPFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -59 °C | CAS Common Chemistry |
| Name | 2-(Dimethylamino)ethanol | CAS Common Chemistry |
| Template talk:Chembox/Archive 9 | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | -0.45970000000000016 | RDKit |
| -0.4597 | RDKit | |
| Molar Refractivity | 25.63979999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 89.084063972 g/mol | RDKit |
| Boiling Point | 135 °C @ 758 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
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MW = 89.14 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO.
