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Memantine
CAS: 19982-08-2 | C12H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19982-08-2
Molecular Formula:
C12H21N
Molecular Mass:
179.31 g/mol
Names and Synonyms:
Memantine
Tricyclo[3.3.1.13,7]decan-1-amine, 3,5-dimethyl-
1-Adamantanamine, 3,5-dimethyl-
3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-amine
1,3-Dimethyl-5-aminoadamantane
3,5-Dimethyl-1-adamantylamine
D 145
1-Amino-3,5-dimethyladamantane
1,3-Dimethyl-5-adamantanamine
Memantine
D 145 (sympathomimetic)
DMAA
DRG 0267
Memantina
Alzantin
3,5-Dimethyl-1-adamantanamine
3,5-Dimethyl-adamantan-1-ylamine
Nemdatine
Identifiers:
SMILES:
CC12CC3CC(C)(C1)CC(N)(C3)C2
InChI:
InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
Key Properties
Melting Point
258 °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 | 179.31 g/mol | CAS Common Chemistry |
| 179.307 g/mol | RDKit | |
| 179.167399672 g/mol | RDKit | |
| Canonical SMILES | NC12CC3CC(C)(C1)CC(C)(C3)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BUGYDGFZZOZRHP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 258 °C | CAS Common Chemistry |
| Name | Memantine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.6941000000000006 | RDKit |
| Molar Refractivity | 54.32440000000004 | RDKit |
