- InChI
- InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
- InChI Key
- OYOUQHVDCKOOAL-UHFFFAOYSA-N
- Formula
- C15H13N3O
- SMILES
-
Nc1ccc2c(c1)C(c1ccccc1)=NCC(O)
=N2 - Molecular Weight1
- 251.28
- CAS
- 4928-02-3
- Other Names
-
- 7-Aminonitrazepam
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 529.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 294.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.708 | Crippen Calculated Property | |
| McVol | 191.040 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Inp | [2785.00; 2898.70] |
|
|
| Inp | 2785.00 | NIST | |
| Inp | 2785.00 | NIST | |
| Inp | 2898.70 | NIST | |
| Inp | 2785.00 | NIST | |
| Inp | 2898.70 | NIST | |
| Tboil | 906.26 | K | Joback Calculated Property |
| Tc | 1170.13 | K | Joback Calculated Property |
| Tfus | 665.55 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.79; 643.31] | J/mol×K | [906.26; 1170.13] |
|
| Cp,gas | 600.79 | J/mol×K | 906.26 | Joback Calculated Property |
| Cp,gas | 611.59 | J/mol×K | 950.24 | Joback Calculated Property |
| Cp,gas | 620.84 | J/mol×K | 994.22 | Joback Calculated Property |
| Cp,gas | 628.59 | J/mol×K | 1038.20 | Joback Calculated Property |
| Cp,gas | 634.88 | J/mol×K | 1082.17 | Joback Calculated Property |
| Cp,gas | 639.77 | J/mol×K | 1126.15 | Joback Calculated Property |
| Cp,gas | 643.31 | J/mol×K | 1170.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Amino-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one.
Sources
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