Chemical Properties of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one (CAS 37546-88-6)

2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one

InChI
InChI=1S/C10H9N3O3/c1-6-4-10(14)12-9-5-7(13(15)16)2-3-8(9)11-6/h2-3,5H,4H2,1H3,(H,12,14)
InChI Key
SPSMFAZVQTWOQE-UHFFFAOYSA-N
Formula
C10H9N3O3
SMILES
CC1=Nc2ccc([N+](=O)[O-])cc2NC(=O)C1
Molecular Weight1
219.20
CAS
37546-88-6
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Physical Properties

Property Value Unit Source
ΔfusH° 34.21 kJ/mol Joback Calculated Property
log10WS -2.82 Relay (1.0) Calculated Property
logPoct/wat 2.029 Crippen Calculated Property
McVol 151.790 ml/mol McGowan Calculated Property
Tfus 496.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [443.74; 494.46] J/mol×K [810.84; 1100.61] Show Hide
Cp,gas 443.74 J/mol×K 810.84 Joback Calculated Property
Cp,gas 456.58 J/mol×K 859.14 Joback Calculated Property
Cp,gas 467.71 J/mol×K 907.43 Joback Calculated Property
Cp,gas 477.10 J/mol×K 955.73 Joback Calculated Property
Cp,gas 484.72 J/mol×K 1004.02 Joback Calculated Property
Cp,gas 490.51 J/mol×K 1052.32 Joback Calculated Property
Cp,gas 494.46 J/mol×K 1100.61 Joback Calculated Property

Similar Compounds

2,3-Dihydro-4-methyl-7-nitro-1H-1,5-benzodiazepin-2-one. Morazone. Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. Ni-TETMP complex. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Acetyldihydrocodeine. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. norbormide. ethyl eburnamenine-14-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. cefuroxime acid. Methyldihydromorphine. DIHYDROMORPHINE. Hydrocodone.

Find more compounds similar to 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one.

Sources

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