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2-Adamantanamine, Hydrochloride
CAS: 10523-68-9 | C10H18ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10523-68-9
Molecular Formula:
C10H18ClN
Molecular Mass:
187.71 g/mol
Names and Synonyms:
2-Adamantanamine, Hydrochloride
Tricyclo[3.3.1.13,7]decan-2-amine, hydrochloride (1:1)
2-Adamantanamine, hydrochloride
Tricyclo[3.3.1.13,7]decan-2-amine, hydrochloride
2-Aminoadamantane hydrochloride
2-Adamantylamine hydrochloride
2-Adamantaneammonium chloride
2-Adamantamine hydrochloride
Identifiers:
SMILES:
Cl.NC1C2CC3CC(C2)CC1C3
InChI:
InChI=1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H
Key Properties
Melting Point
300-325 °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 | 187.71 g/mol | CAS Common Chemistry |
| 187.71399999999997 g/mol | RDKit | |
| 187.112777256 g/mol | RDKit | |
| Canonical SMILES | Cl.NC1C2CC3CC(C2)CC1C3 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=WLDWDRZITJEWRJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300-325 °C | CAS Common Chemistry |
| Name | 2-Adamantanamine, hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 2.1916 | RDKit |
| Molar Refractivity | 52.268400000000035 | RDKit |
