Chemical Properties of 1-(Dimethoxy-phenylmethyl)-1H-imidazole (CAS 111456-85-0)

1-(Dimethoxy-phenylmethyl)-1H-imidazole

InChI
InChI=1S/C12H14N2O2/c1-15-12(16-2,14-9-8-13-10-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChI Key
KDFJJNPLCGDESX-UHFFFAOYSA-N
Formula
C12H14N2O2
SMILES
COC(OC)(c1ccccc1)n1ccnc1
Molecular Weight1
218.25
CAS
111456-85-0
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfgas -77.50 ± 3.70 kJ/mol NIST
Δfliquid -163.10 ± 3.60 kJ/mol NIST
Δvap 85.60 ± 1.20 kJ/mol NIST
logPoct/wat 1.834 Crippen Calculated Property
McVol 168.420 ml/mol McGowan Calculated Property
Tfus 330.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

Phenyl-(2-chlorophenyl)-(1-imidazolyl) carbinol. D-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. Cinchonine. Cinchonidine. 2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. Inabenfide, N,O-bis(tert-butyldimethylsilyl)-. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Cytosine arabinoside, buto-oxime-TMS derivative. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. 5,8-Dihydro-2-methyl-3-(1-phenyl-5-tetrazolylthio)-5,8-ethano-1,4-naphthohydroquinone. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone.

Find more compounds similar to 1-(Dimethoxy-phenylmethyl)-1H-imidazole.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.