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Predicted properties of the compound entered.

ID ABOWOWSCERRWAZ-UHFFFAOYSA-N
Formula C9H13N3O2
IUPAC Name 2-nitro-5-(propan-2-yl)benzene-1,4-diamine
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C9H13N3O2/c1-5(2)6-3-8(11)9(12(13)14)4-7(6)10/h3-5H,10-11H2,1-2H3
Standard InChIKey (User Input) InChIKey=ABOWOWSCERRWAZ-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 2-nitro-5-propan-2-ylbenzene-1,4-diamine | 2-isopropyl-5-nitro-benzene-1,4-diamine | 2-isopropyl-5-nitrobenzene-1,4-diamine | (4-amino-2-isopropyl-5-nitro-phenyl)amine | 2-nitro-5-propan-2-yl-benzene-1,4-diamine | 82856-97-1 | 1,4-Benzenediamine, 2-(1-methylethyl)-5-nitro- | 2-(1-Methylethyl)-5-nitro-1,4-benzenediamine | 4-Amino-3-nitro-6-isopropylaniline
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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