- InChI
- InChI=1S/C11H15N3O2/c1-4-11(13(2)3)12-9-6-5-7-10(8-9)14(15)16/h5-8H,4H2,1-3H3/b12-11+
- InChI Key
- GXIUOIPWQGCNTA-VAWYXSNFSA-N
- Formula
- C11H15N3O2
- SMILES
-
CCC(=Nc1cccc([N+](=O)[O-])c1)N
(C)C - Molecular Weight1
- 221.26
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6543 | Relay (1.0) Calculated Property | |
| ΔfG° | 332.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 71.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.596 | Crippen Calculated Property | |
| McVol | 175.170 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | [1969.00; 1969.00] |
|
|
| Inp | 1969.00 | NIST | |
| Inp | 1969.00 | NIST | |
| Tboil | 575.64 | K | Relay (1.0) Calculated Property |
| Tc | 820.35 | K | Relay (1.0) Calculated Property |
| Tfus | 385.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(3-nitrophenyl)-propionamidine.
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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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