- InChI
- InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
- InChI Key
- KJONHKAYOJNZEC-UHFFFAOYSA-N
- Formula
- C15H11N3O3
- SMILES
-
O=C1CN=C(c2ccccc2)c2cc([N+](=O
)[O-])ccc2N1 - Molecular Weight1
- 281.27
- CAS
- 146-22-5
- Other Names
-
- 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
- 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepine-2-one
- 2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-
- 7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
- 7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
- 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
- Apodorm
- Benzalin
- Calsmin
- Cerson
- Dormicum
- Dormin-5
- Dumolid
- Eatan
- Epibenzalin
- Epinelbon
- Eunoctin
- Eunoktin
- Hipnax
- Hipsal
- Imeson
- Imesont
- Insomin
- Ipersed
- LA 1
- Magadon
- Megadon
- Mogadan
- Mogadon
- Mogadone
- N-Desmethylnimetazepam
- NSC-58775
- Nelbon
- Nelmat
- Neozepam
- Neuchlonic
- Nitrados
- Nitravet
- Nitrenpax
- Noctesed
- Paxisyn
- Pelson
- Radedorm
- Relact
- Remnos
- Ro 4-5360
- Ro 5-3059
- S 2000
- Somitran
- Somnased
- Somnibel
- Somnite
- Sonebon
- Sonnolin
- Surem
- Trazenin
- Unisomnia
- ω : Acentric Factor.
- 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).
- 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 | 0.7373 | Relay (1.0) Calculated Property | |
| ΔfG° | 463.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 132.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.80; -3.79] |
|
|
| log10WS | -3.79 | Aq. Solubility Prediction | |
| log10WS | -3.80 | Estimated Solubility | |
| logPoct/wat | 2.384 | Crippen Calculated Property | |
| McVol | 198.480 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Inp | [2720.00; 2849.90] |
|
|
| Inp | 2720.00 | NIST | |
| Inp | 2755.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2728.00 | NIST | |
| Inp | 2740.00 | NIST | |
| Inp | 2775.00 | NIST | |
| Inp | 2724.00 | NIST | |
| Inp | 2740.00 | NIST | |
| Inp | 2785.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Inp | Outlier 2849.90 | NIST | |
| Inp | 2780.00 | NIST | |
| Inp | 2795.00 | NIST | |
| Inp | 2740.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Inp | 2790.00 | NIST | |
| Inp | 2790.00 | NIST | |
| Inp | 2795.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Inp | 2772.00 | NIST | |
| Inp | 2775.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Inp | 2778.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Inp | 2790.00 | NIST | |
| Inp | 2794.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Inp | 2744.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2755.00 | NIST | |
| Inp | 2755.00 | NIST | |
| Inp | 2746.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2760.00 | NIST | |
| Inp | 2730.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2728.00 | NIST | |
| Inp | 2740.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Tboil | 684.84 | K | Relay (1.0) Calculated Property |
| Tc | 1062.51 | K | Relay (1.0) Calculated Property |
| Tfus | 534.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.59; 643.75] | J/mol×K | [951.92; 1255.27] |
|
| Cp,gas | 613.59 | J/mol×K | 951.92 | Joback Calculated Property |
| Cp,gas | 624.04 | J/mol×K | 1002.48 | Joback Calculated Property |
| Cp,gas | 632.26 | J/mol×K | 1053.04 | Joback Calculated Property |
| Cp,gas | 638.27 | J/mol×K | 1103.59 | Joback Calculated Property |
| Cp,gas | 642.10 | J/mol×K | 1154.15 | Joback Calculated Property |
| Cp,gas | 643.75 | J/mol×K | 1204.71 | Joback Calculated Property |
| Cp,gas | 643.27 | J/mol×K | 1255.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nitrazepam.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.