- InChI
- InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
- InChI Key
- NTJQREUGJKIARY-UHFFFAOYSA-N
- Formula
- C12H19NO2
- SMILES
- COc1cc(CC(C)N)c(OC)cc1C
- Molecular Weight1
- 209.28
- CAS
- 15588-95-1
- Other Names
-
- Phenethylamine, 2,5-dimethoxy-«alpha»,4-dimethyl-
- DOM
- STP
- 2,5-Dimethoxy-«alpha»,4-dimethylphenylethylamine
- 2,5-Dimethoxy-4-methylamphetamine
- 2,5-Dimethoxy-4-methylphenylisopropylamine
- 2,5-Dimethoxymethylamphetamine
- 2',5'-Dimethoxy-4'-methylamphetamine
- 4-Methyl-2,5-dimethoxyamphetamine
- (.+/-.)-1-(2,5-Dimethoxy-4-methylphenyl)-2-aminopropane
- (.+/-.)-1-(4-Methyl-2,5-dimethoxyphenyl)-2-aminopropane
- (.+/-.)-2,5-Dimethoxy-4-methylamphetamine
- (.+/-.)-DOM
- (RS)-DOM
- dl-2,5-Dimethoxy-4-methylamphetamine
- dl-4-Methyl-2,5-dimethoxyamphetamine
- STP (hallucinogen)
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -12.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 1.902 | Crippen Calculated Property | |
| McVol | 177.900 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Inp | [1605.00; 1635.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 632.51 | K | Joback Calculated Property |
| Tc | 843.83 | K | Joback Calculated Property |
| Tfus | 401.70 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.71; 543.34] | J/mol×K | [632.51; 843.83] |
|
| Cp,gas | 462.71 | J/mol×K | 632.51 | Joback Calculated Property |
| Cp,gas | 478.13 | J/mol×K | 667.73 | Joback Calculated Property |
| Cp,gas | 492.76 | J/mol×K | 702.95 | Joback Calculated Property |
| Cp,gas | 506.60 | J/mol×K | 738.17 | Joback Calculated Property |
| Cp,gas | 519.65 | J/mol×K | 773.39 | Joback Calculated Property |
| Cp,gas | 531.90 | J/mol×K | 808.61 | Joback Calculated Property |
| Cp,gas | 543.34 | J/mol×K | 843.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanamine, 2,5-dimethoxy-«alpha»,4-dimethyl-.
Sources
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