- InChI
- InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
- InChI Key
- UUVWYPNAQBNQJQ-UHFFFAOYSA-N
- Formula
- C9H18N6
- SMILES
- CN(C)c1nc(N(C)C)nc(N(C)C)n1
- Molecular Weight1
- 210.28
- CAS
- 645-05-6
- Other Names
-
- 1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexamethyl-
- 1,3,5-tris(dimethylamino)-s-triazine
- 2,4,6-Tris(Dimethylamino)-s-triazine
- 2,4,6-Tris(dimethylamino)-1,3,5-triazine
- ENT 50852
- HMM
- HTM
- HXM
- Hemel
- Hexalen
- Hexamethylmelamine
- Hexastat
- Melamine, hexamethyl-
- N,N,N',N',N'',N''-Hexamethyl-1,3,5-triazine-2,4,6-triamine
- NC 195
- NCI-C50259
- NSC 13875
- s-Triazine, 2,4,6-tris(dimethylamino)-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.6526 | Relay (1.0) Calculated Property | |
| ΔfG° | 488.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 134.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.36; -3.36] |
|
|
| log10WS | -3.36 | Aq. Solubility Prediction | |
| log10WS | -3.36 | Estimated Solubility | |
| logPoct/wat | 0.070 | Crippen Calculated Property | |
| McVol | 173.790 | ml/mol | McGowan Calculated Property |
| Pc | 2791.05 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 533.05 | K | Relay (1.0) Calculated Property |
| Tc | 787.38 | K | Relay (1.0) Calculated Property |
| Tfus | 444.35 ± 1.00 | K | NIST |
| Vc | 0.700 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 23.01 | kJ/mol | 444.40 | NIST |
Similar Compounds
Find more compounds similar to Altretamine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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