Chemical Properties of Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester (CAS 73941-33-0)

Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester

InChI
InChI=1S/C12H12N2O2/c1-16-12(15)11-7-13-9-14(11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChI Key
DOTNQIPIURWNFJ-UHFFFAOYSA-N
Formula
C12H12N2O2
SMILES
COC(=O)c1cncn1Cc1ccccc1
Molecular Weight1
216.24
CAS
73941-33-0
Other Names
  • methyl 1-benzyl-1H-imidazole-5-carboxylate
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Physical Properties

Property Value Unit Source
ΔvapH° 88.26 kJ/mol Relay (1.0) Calculated Property
log10WS -3.00 Relay (1.0) Calculated Property
logPoct/wat 1.718 Crippen Calculated Property
McVol 164.120 ml/mol McGowan Calculated Property
Tboil 625.80 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Similar Compounds

ETOMIDATE. 5'-S-Methyl-5'-thioadenosine, bis(trimethylsilyl) deriv.. 5-(5-methyl-2-furyl)-2,3-dihydro-1H-pyrrolizine. RTI 23. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. norbormide. guanosine, TMS. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Hydrastine. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TBDMS. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether.

Find more compounds similar to Imidazole-5-carboxylic acid, 1-benzyl-, methyl ester.

Sources

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