Chemical Properties of Carbamic acid, methyl-, p-[2-(3-methylureido)ethyl]phenyl ester (CAS 91646-87-6)

Carbamic acid, methyl-, p-[2-(3-methylureido)ethyl]phenyl ester

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InChI
InChI=1S/C12H17N3O3/c1-13-11(16)15-8-7-9-3-5-10(6-4-9)18-12(17)14-2/h3-6H,7-8H2,1-2H3,(H,14,17)(H2,13,15,16)
InChI Key
BMJMOPYXKZMWRE-UHFFFAOYSA-N
Formula
C12H17N3O3
SMILES
CNC(=O)NCCc1ccc(OC(=O)NC)cc1
Molecular Weight1
251.28
CAS
91646-87-6
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Physical Properties

Property Value Unit Source
ΔfG° 58.27 kJ/mol Joback Calculated Property
ΔfH°gas -262.92 kJ/mol Joback Calculated Property
ΔfusH° 40.17 kJ/mol Joback Calculated Property
ΔvapH° 80.45 kJ/mol Joback Calculated Property
log10WS -2.72 Crippen Calculated Property
logPoct/wat 0.876 Crippen Calculated Property
McVol 195.130 ml/mol McGowan Calculated Property
Pc 2752.67 kPa Joback Calculated Property
Tboil 786.29 K Joback Calculated Property
Tc 999.61 K Joback Calculated Property
Tfus 544.01 K Joback Calculated Property
Vc 0.735 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [564.58; 623.98] J/mol×K [786.29; 999.61] Show Hide
Cp,gas 564.58 J/mol×K 786.29 Joback Calculated Property
Cp,gas 576.72 J/mol×K 821.84 Joback Calculated Property
Cp,gas 587.93 J/mol×K 857.40 Joback Calculated Property
Cp,gas 598.23 J/mol×K 892.95 Joback Calculated Property
Cp,gas 607.66 J/mol×K 928.50 Joback Calculated Property
Cp,gas 616.24 J/mol×K 964.05 Joback Calculated Property
Cp,gas 623.98 J/mol×K 999.61 Joback Calculated Property

Similar Compounds

Carbamic acid, n-methyl, n-nitroso-, 4[2-(n'-methyl-n'-nitroso-ureido)ethyl]phenyl ester. [4-[2-(Methoxycarbonylamino)ethyl]phenyl] methyl carbonate. Urea, 1-methyl-3-(2-phenylethyl)-. N-acetyltyramine-TFA. Urea, 1,3-diphenethyl-. Tyramine, N-acetate, PFP. N-(4-Methoxyphenethyl)benzamide. Tyramine, iso-BOC, O-TBDMS. l-Tyrosine, N,O-bis(2,6-difluorobenzoyl)-, methyl ester. L-Tyrosine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester. L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester). L-Tyrosine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Tyrosine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. tyrosine, trifluoroacetyl-isopropyl ester. l-Tyrosine, N,O-bis(2,3,4-trifluorobenzoyl)-, methyl ester.

Find more compounds similar to Carbamic acid, methyl-, p-[2-(3-methylureido)ethyl]phenyl ester.

Sources

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