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Donormil
CAS: 562-10-7 | C21H28N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
562-10-7
Molecular Formula:
C21H28N2O5
Molecular Mass:
388.46 g/mol
Names and Synonyms:
Donormil
Meraprina
Butanedioic acid, compd. with N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1)
Succinic acid, compd. with 2-[α-[2-(dimethylamino)ethoxy]-α-methylbenzyl]pyridine (1:1)
Pyridine, 2-[α-[2-(dimethylamino)ethoxy]-α-methylbenzyl]-, succinate (1:1)
Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-, butanedioate (1:1)
Decapryn succinate (1:1)
2-[α-(2-Dimethylaminoethoxy)-α-methylbenzyl]pyridine succinate (1:1)
Decapryn
Unisom
Hoggar N
Decapryn succinate
Alsodorm
Gittalun
Sedaplus
2-[α-(2-Dimethylaminoethoxy)-α-methylbenzyl]pyridine succinate
Decamium
Doxised
Mereprine
NSC 74772
Donormil
Donormyl
Dormidina
Identifiers:
SMILES:
CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O
InChI:
InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
Key Properties
Melting Point
100-104 °C
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 | 388.46 g/mol | CAS Common Chemistry |
| 388.4640000000002 g/mol | RDKit | |
| 388.1998219959999 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(=O)O.N=1C=CC=CC1C(OCCN(C)C)(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=KBAUFVUYFNWQFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100-104 °C | CAS Common Chemistry |
| Name | Donormil | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 99.96 Ų | RDKit |
| LogP | 2.8591000000000006 | RDKit |
| Molar Refractivity | 106.1446000000001 | RDKit |
