Chemical Properties of L-Histidine, 1-methyl-N-(trifluoroacetyl)-, butyl ester (CAS 55145-65-8)

L-Histidine, 1-methyl-N-(trifluoroacetyl)-, butyl ester

InChI
InChI=1S/C13H18F3N3O3/c1-3-4-5-22-11(20)10(18-12(21)13(14,15)16)6-9-7-19(2)8-17-9/h7-8,10H,3-6H2,1-2H3,(H,18,21)
InChI Key
OGEMYKSAJIDKDR-UHFFFAOYSA-N
Formula
C13H18F3N3O3
SMILES
CCCCOC(=O)C(Cc1cn(C)cn1)NC(=O)C(F)(F)F
Molecular Weight1
321.30
CAS
55145-65-8
Other Names
  • His, 1-methyl-N-(trifluoroacetyl)-, butyl ester
  • His, 3-methyl, butyl ester, TFA
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
ω 0.7333 Relay (1.0) Calculated Property
ΔfG° -646.40 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1137.97 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 91.31 kJ/mol Relay (1.0) Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
log10WS -2.27 Relay (1.0) Calculated Property
logPoct/wat 1.353 Crippen Calculated Property
McVol 218.830 ml/mol McGowan Calculated Property
Pc 1744.08 kPa Relay (1.0-beta) Calculated Property
Inp 1888.00 NIST
Tboil 575.24 K Relay (1.0) Calculated Property
Tc 774.17 K Relay (1.0) Calculated Property
Tfus 353.53 K Relay (1.0) Calculated Property
Vc 0.798 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

L-Histidine, N-(trifluoroacetyl)-, butyl ester. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Retroisosensine. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Retroisosenine. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to L-Histidine, 1-methyl-N-(trifluoroacetyl)-, butyl ester.

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.