- InChI
- InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
- InChI Key
- PXWUKZGIHQRDHL-UHFFFAOYSA-N
- Formula
- C9H17N5O
- SMILES
- CCNc1nc(NC(C)C)nc(OC)n1
- Molecular Weight1
- 211.26
- CAS
- 1610-17-9
- Other Names
-
- 1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylethyl)-
- 1,3,5-Triazine-2,4-diamine, N2-ethyl-6-methoxy-N4-(1-methylethyl)-
- 2-(Ethylamino)-4-(isopropylamino)-6-methoxy-s-triazine
- 2-Methoxy-4-ethylamino-6-isopropylamino-1,3,5-triazine
- 2-Methoxy-4-ethylamino-6-isopropylamino-s-triazine
- 2-Methoxy-4-isopropylamino-6-ethylamino-s-triazine
- 4-Ethylamino-6-isopropylamino-2-methoxy-s-triazine
- 6-Ethylamino-4-isopropylamino-2-methoxy-1,3,5-triazine
- Atratone
- Atroton
- G 32293
- Geigy 32,293
- Gesatamin
- N-Ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine
- NSC 163045
- Primatol
- s-Triazine, 2-(ethylamino)-4-(isopropylamino)-6-methoxy-
- s-Triazine, 4-ethylamino-6-isopropylamino-2-methoxy-
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-2.08; -2.08] |
|
|
| log10WS | -2.08 | Aq. Sol... | |
| log10WS | -2.08 | Estimat... | |
| logPoct/wat | 1.132 | Crippen Calculated Property | |
| McVol | 169.680 | ml/mol | McGowan Calculated Property |
| I | [2610.00; 2633.00] |
|
|
| I | 2610.00 | NIST | |
| I | 2633.00 | NIST | |
| I | 2610.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 94.40 | kJ/mol | 363.00 | NIST |
Similar Compounds
Find more compounds similar to Atraton.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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