Back to Search
Desglymidodrine
CAS: 3600-87-1 | C10H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3600-87-1
Molecular Formula:
C10H15NO3
Molecular Mass:
197.23 g/mol
Names and Synonyms:
Desglymidodrine
Deglymidodrine
Benzenemethanol, α-(aminomethyl)-2,5-dimethoxy-
Benzyl alcohol, α-(aminomethyl)-2,5-dimethoxy-
α-(Aminomethyl)-2,5-dimethoxybenzenemethanol
ST 1059
1-(2,5-Dimethoxyphenyl)-2-aminoethanol
Desglymidodrine
2-Amino-1-(2,5-dimethoxyphenyl)ethanol
2-Amino-1-(2′,5′-dimethoxyphenyl)ethanol
2-Amino-1-(2,5-dimethoxyphenyl)ethan-1-ol
Identifiers:
SMILES:
COc1ccc(OC)c(C(O)CN)c1
InChI:
InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
Key Properties
Melting Point
95-96 °C @ Solvent: Ethyl acetate
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.23 g/mol | CAS Common Chemistry |
| 197.23399999999998 g/mol | RDKit | |
| 197.10519334 g/mol | RDKit | |
| Canonical SMILES | OC(C1=CC(OC)=CC=C1OC)CN | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VFRCNXKYZVQYLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95-96 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | Desglymidodrine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.71 Ų | RDKit |
| LogP | 0.6959 | RDKit |
| Molar Refractivity | 53.56020000000002 | RDKit |
