Chemical Properties of His, 1-methyl, butyl ester

His, 1-methyl, butyl ester

InChI
InChI=1S/C11H19N3O2/c1-3-4-5-16-11(15)10(12)6-9-7-14(2)8-13-9/h7-8,10H,3-6,12H2,1-2H3
InChI Key
IOXBVOOVLMAXMO-UHFFFAOYSA-N
Formula
C11H19N3O2
SMILES
CCCCOC(=O)C(N)Cc1cn(C)cn1
Molecular Weight1
225.29
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Physical Properties

Property Value Unit Source
ω 0.7177 Relay (1.0) Calculated Property
ΔfG° 18.34 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -332.43 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 87.22 kJ/mol Relay (1.0) Calculated Property
IE 8.08 eV Relay (1.0) Calculated Property
log10WS -1.39 Relay (1.0) Calculated Property
logPoct/wat 0.633 Crippen Calculated Property
McVol 183.770 ml/mol McGowan Calculated Property
Pc 2376.87 kPa Relay (1.0-beta) Calculated Property
Inp 1888.00 NIST
Tboil 593.12 K Relay (1.0) Calculated Property
Tc 790.25 K Relay (1.0) Calculated Property
Tfus 347.82 K Relay (1.0) Calculated Property
Vc 0.682 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

L-Histidine, 1-methyl-N-(trifluoroacetyl)-, butyl ester. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 5,6-Dihydrouracil riboside, TMS. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. Nalmefene, bis(trifluoroacetate). Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Pregnan-2,3,20-triol, GlcNAc, MeTMS. 5-«alpha»-Pregnan-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Mirtazapine-M (oxo-). Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. 5«alpha»-Androstan-17«alpha»-methyl-4«beta»,17«beta»-diol-3,2c-pyrazol, TMS. 4'-Hydroxystanozolol (5A-Androstan-17A-methyl-4',17B-diol-3,2c-pyrazol), TMS.

Find more compounds similar to His, 1-methyl, butyl ester.

Sources

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