Chemical Properties of 2-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol (CAS 33229-34-4)

2-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol

InChI
InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2
InChI Key
MIWUTEVJIISHCP-UHFFFAOYSA-N
Formula
C12H19N3O5
SMILES
O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO
Molecular Weight1
285.30
CAS
33229-34-4
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Physical Properties

Property Value Unit Source
ΔfusH° 51.84 kJ/mol Joback Calculated Property
logPoct/wat -0.210 Crippen Calculated Property
McVol 211.170 ml/mol McGowan Calculated Property
Tfus 368.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [304.26; 690.98] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.86400e+00
Coefficient B1.34736e+00
Coefficient C-8.56920e-04
Coefficient D2.04400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 304.26 J/mol×K 273.00 Calculated Property
Cp,gas 374.60 J/mol×K 353.78 Calculated Property
Cp,gas 436.59 J/mol×K 434.56 Calculated Property
Cp,gas 490.88 J/mol×K 515.33 Calculated Property
Cp,gas 538.10 J/mol×K 596.11 Calculated Property
Cp,gas 578.92 J/mol×K 676.89 Calculated Property
Cp,gas 613.97 J/mol×K 757.67 Calculated Property
Cp,gas 643.89 J/mol×K 838.44 Calculated Property
Cp,gas 669.35 J/mol×K 919.22 Calculated Property
Cp,gas 690.98 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Pyridinecarbamic acid, 6-amino-4-[[2-hydroxy-3-(methylphenylamino)propyl]amino]-5-nitro-, ethyl ester. 4-(2-Nitrophenyl) morpholine. Morpholine, 4-(4-chloro-2-nitrophenyl)-. 2-Aminoacetanilide, N-propyl-N'-(1-methylpropyl). Thymidine, 3',5'-bis(O-TBDMSi). 5'-O-(tert-butyldimethylsilyl)-thymidine. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Cytosine arabinoside, methyl-TMS derivative. Thymidine, 3'-O-TBDMS, 5'-O-TMS. 5-Methyluridine, tris(trimethylsilyl) deriv.. 5-methyluridine, 2',3',5'-tris(O-TMSi). (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Thymidine, 3'-O-TFA, 5'-O-TBDMS. Thymidine, 3'-O-TMS, 5'-O-TBDMS. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative.

Find more compounds similar to 2-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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