Chemical Properties of N-tert-Butoxycarbonylimidazole (CAS 49761-82-2)

N-tert-Butoxycarbonylimidazole

InChI
InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3
InChI Key
MTBKGWHHOBJMHJ-UHFFFAOYSA-N
Formula
C8H12N2O2
SMILES
CC(C)(C)OC(=O)n1ccnc1
Molecular Weight1
168.19
CAS
49761-82-2
Other Names
  • 1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester
  • tert-butyl 1H-imidazole-1-carboxylate
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Physical Properties

Property Value Unit Source
ω 0.5248 Relay (1.0) Calculated Property
ΔfG° -42.23 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -315.82 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 68.66 kJ/mol Relay (1.0) Calculated Property
IE 9.54 eV Relay (1.0) Calculated Property
log10WS -1.62 Relay (1.0) Calculated Property
logPoct/wat 1.666 Crippen Calculated Property
McVol 131.520 ml/mol McGowan Calculated Property
Pc 2843.75 kPa Relay (1.0-beta) Calculated Property
Tboil 519.95 K Relay (1.0) Calculated Property
Tc 719.82 K Relay (1.0) Calculated Property
Tfus 351.16 K Relay (1.0) Calculated Property
Vc 0.503 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Carbimazole. Acetylimidazole diethyl acetal. Histamine, iso-BOC. 1-(Dimethoxy-phenylmethyl)-1H-imidazole. N-Formylimidazole diethyl acetal. Imidazole, 1-[1-(4-chloro-2-trifluoromethylphenylimino)-2-propoxyethyl. Histidine, ethoxycarbonylated, TBDMS. Benzo[g]pteridine-2,4(3H,10H)-dione,3,6,10-trimethyl-. Ouabain. 9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-. Teferin. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, bis-TMS. Bunolol. Silane, [(6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-9-methylene-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]dimethyl-2-propenyl-, (6aR-trans)-. Uridine, 2',3'-O-(1-methylethylidene)-.

Find more compounds similar to N-tert-Butoxycarbonylimidazole.

Sources

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