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Molecule
N-Ethylglucamine
CAS: 14216-22-9 · C8H19NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14216-22-9
- Molecular Formula
- C8H19NO5
- Molecular Mass
- 209.24 g/mol
Identifiers
CAS Registry Number
14216-22-9
SMILES
CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Key
IKXCHOUDIPZROZ-LXGUWJNJSA-N
InChI
InChI=1S/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
Names and Synonyms
- N-Ethylglucamine Common Name
- D-Glucitol, 1-deoxy-1-(ethylamino)- Synonym
- Glucitol, 1-deoxy-1-(ethylamino)-, D- Synonym
- Glucitol, 1-deoxy-1-(ethylamino)- Synonym
- Sorbitol, 1-deoxy-1-ethylamino- Synonym
- 1-Deoxy-1-(ethylamino)-D-glucitol Synonym
- N-Ethylglucamine Synonym
- D-(-)-N-Ethylglucamine Synonym
- Eglumine Synonym
- N-Ethyl-D-glucamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.24 g/mol | CAS Common Chemistry |
| 209.242 g/mol | RDKit | |
| Canonical SMILES | OCC(O)C(O)C(O)C(O)CNCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IKXCHOUDIPZROZ-LXGUWJNJSA-N | CAS Common Chemistry |
| Melting Point | 137 °C | CAS Common Chemistry |
| Name | N-Ethylglucamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 113.18 Ų | RDKit |
| LogP | -2.968199999999999 | RDKit |
| -2.9682 | RDKit | |
| Molar Refractivity | 49.65670000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 209.126322708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 209.24 g/mol. Edit any field — others recompute live.
