- InChI
- InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
- InChI Key
- DKNWSYNQZKUICI-UHFFFAOYSA-N
- Formula
- C10H17N
- SMILES
- NC12CC3CC(CC(C3)C1)C2
- Molecular Weight1
- 151.25
- CAS
- 768-94-5
- Other Names
-
- 1-Adamantamine
- 1-Adamantanamine
- 1-Adamantylamine
- 1-Aminoadamantane
- 1-Aminotricyclo(3.3.1.1
- 1-aminotricyclo(3.3.1.1:3,7)decane
- Adamantamine
- Adamantanamine
- Adamantylamine
- Aminoadamantane
- Pk-Merz
- Tricyclo[3.3.1.1(3,7)]decan-1-amine
- sulfasalazine
- tricyclo(3.3.1.1:3,7)decan-1-amine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4081 | Relay (1.0) Calculated Property | |
| PAff | 948.80 | kJ/mol | NIST |
| BasG | 916.30 | kJ/mol | NIST |
| ΔfG° | 256.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | [1.72; 7.30] | kJ/mol |
|
| ΔfusH° | 1.72 | kJ/mol | Thermodynamic properties of 1-aminoadamantane |
| ΔfusH° | 7.30 | kJ/mol | The Vaporization Enthalpies and Vapor Pressures of Some Primary Amines of Pharmaceutical Importance by Correlation Gas Chromatography |
| ΔsubH° | 61.70 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 54.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Aq. Solubility Prediction | |
| logPoct/wat | 1.914 | Crippen Calculated Property | |
| McVol | 129.160 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Inp | [1200.00; 1297.00] |
|
|
| Inp | 1256.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Tboil | 480.78 | K | Relay (1.0) Calculated Property |
| Tc | 744.86 | K | Relay (1.0) Calculated Property |
| Tfus | 461.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.21; 441.62] | J/mol×K | [520.79; 755.79] |
|
| Cp,gas | 342.21 | J/mol×K | 520.79 | Joback Calculated Property |
| Cp,gas | 362.22 | J/mol×K | 559.96 | Joback Calculated Property |
| Cp,gas | 380.54 | J/mol×K | 599.12 | Joback Calculated Property |
| Cp,gas | 397.41 | J/mol×K | 638.29 | Joback Calculated Property |
| Cp,gas | 413.05 | J/mol×K | 677.45 | Joback Calculated Property |
| Cp,gas | 427.71 | J/mol×K | 716.62 | Joback Calculated Property |
| Cp,gas | 441.62 | J/mol×K | 755.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Amantadine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Thermodynamic properties of 1-aminoadamantane
- Thermodynamics of the Antiviral and Antiparkinsonian Drug Amantadine Hydrochloride: Condensed State Properties and Decomposition
- The Vaporization Enthalpies and Vapor Pressures of Some Primary Amines of Pharmaceutical Importance by Correlation Gas Chromatography
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.