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Amantadine
CAS: 768-94-5 | C10H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
768-94-5
Molecular Formula:
C10H17N
Molecular Mass:
151.25 g/mol
Names and Synonyms:
Amantadine
Tricyclo[3.3.1.13,7]decan-1-amine
1-Adamantanamine
Amantadine
1-Aminoadamantane
1-Adamantamine
Adamantylamine
1-Adamantylamine
1-Amantadine
Adamantamine
Adamantanamine
NSC 341865
Tricyclo[3.3.1.13,7]decane-1-amine
(Adamantan-1-yl)amine
Identifiers:
SMILES:
NC12CC3CC(CC(C3)C1)C2
InChI:
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
Key Properties
Melting Point
180 °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 | 151.25 g/mol | CAS Common Chemistry |
| 151.253 g/mol | RDKit | |
| 151.136099544 g/mol | RDKit | |
| Canonical SMILES | NC12CC3CC(CC(C3)C1)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DKNWSYNQZKUICI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180 °C | CAS Common Chemistry |
| Name | Amantadine | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.9139 | RDKit |
| Molar Refractivity | 45.09040000000003 | RDKit |
