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Molecule
Meglumine
CAS: 6284-40-8 · C7H17NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6284-40-8
- Molecular Formula
- C7H17NO5
- Molecular Mass
- 195.22 g/mol
Identifiers
CAS Registry Number
6284-40-8
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Key
MBBZMMPHUWSWHV-BDVNFPICSA-N
InChI
InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
Names and Synonyms
- Meglumine Synonym
- D-Glucitol, 1-deoxy-1-(methylamino)- Synonym
- Glucitol, 1-deoxy-1-(methylamino)-, D- Synonym
- Sorbitol, 1-deoxy-1-methylamino- Synonym
- 1-Deoxy-1-(methylamino)-D-glucitol Synonym
- N-Methyl-D-glucamine Synonym
- Meglumine Synonym
- N-Methylglucamine Synonym
- Methylglucamine Synonym
- 1-Deoxy-1-methylaminosorbitol Synonym
- Meglumin Synonym
- Methylglucamin Synonym
- D-(-)-N-Methylglucamine Synonym
- N-Methyl-D(-)-glucamine Synonym
- N-Methylsorbitylamine Synonym
- NSC 52907 Synonym
- NSC 7391 Synonym
- (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-pentaol Synonym
- N,N-Methyl-2,7-octadienylglucamine Synonym
- Emprove Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.21499999999997 g/mol | RDKit | |
| 195.215 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Meglumine | CAS Common Chemistry |
| Canonical SMILES | OCC(O)C(O)C(O)C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MBBZMMPHUWSWHV-BDVNFPICSA-N | CAS Common Chemistry |
| Melting Point | 128.5 °C | CAS Common Chemistry |
| Name | N-Methyl-D-glucamine | CAS Common Chemistry |
| Meglumine | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 113.18 Ų | RDKit |
| LogP | -3.3582999999999994 | RDKit |
| -3.3583 | RDKit | |
| Molar Refractivity | 45.03970000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 195.110672644 g/mol | RDKit |
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 = 195.22 g/mol. Edit any field — others recompute live.
