- InChI
- InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
- InChI Key
- GWUSZQUVEVMBPI-UHFFFAOYSA-N
- Formula
- C16H13N3O3
- SMILES
-
CN1C(=O)CN=C(c2ccccc2)c2cc([N+
](=O)[O-])ccc21 - Molecular Weight1
- 295.29
- CAS
- 2011-67-8
- Other Names
-
- 1,3-Dihydro-1-methyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
- 1-Methyl-5-phenyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- 1-Methyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- 1-Methylnitrazepam
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-methyl-7-nitro-5-phenyl-
- Elimin
- Hypnon
- Methylnitrazepam
- Nitrazepam, methylated
- Ro 5-3453
- S 1530
- 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 | 0.7419 | Relay (1.0) Calculated Property | |
| ΔfG° | 327.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 135.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.80; -3.80] |
|
|
| log10WS | -3.80 | Aq. Solubility Prediction | |
| log10WS | -3.80 | Estimated Solubility | |
| logPoct/wat | 2.409 | Crippen Calculated Property | |
| McVol | 212.570 | ml/mol | McGowan Calculated Property |
| Pc | 2663.08 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2640.00; 2693.00] |
|
|
| Inp | 2662.00 | NIST | |
| Inp | 2693.00 | NIST | |
| Inp | 2662.00 | NIST | |
| Inp | 2662.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Inp | 2693.00 | NIST | |
| Inp | 2693.00 | NIST | |
| Inp | 2662.00 | NIST | |
| Tboil | 680.93 | K | Relay (1.0) Calculated Property |
| Tc | 1035.46 | K | Relay (1.0) Calculated Property |
| Tfus | 476.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nimetazepam.
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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