Chemical Properties of Anserine, TMS

Anserine, TMS

InChI
InChI=1S/C16H32N4O3Si2/c1-20-12-17-11-13(20)10-14(16(22)23-25(5,6)7)19-15(21)8-9-18-24(2,3)4/h11-12,14,18H,8-10H2,1-7H3,(H,19,21)
InChI Key
YLCPMWYAQRTZKQ-UHFFFAOYSA-N
Formula
C16H32N4O3Si2
SMILES
Cn1cncc1CC(NC(=O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C
Molecular Weight1
384.62
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Physical Properties

Property Value Unit Source
ω 0.8384 Relay (1.0) Calculated Property
ΔfG° 35.45 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -752.71 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 105.11 kJ/mol Relay (1.0) Calculated Property
IE 8.63 eV Relay (1.0) Calculated Property
log10WS -1.36 Relay (1.0) Calculated Property
logPoct/wat 1.640 Crippen Calculated Property
Pc 825.61 kPa Relay (1.0-beta) Calculated Property
Inp 2598.00 NIST
Tboil 628.53 K Relay (1.0) Calculated Property
Tc 870.24 K Relay (1.0) Calculated Property
Tfus 363.12 K Relay (1.0) Calculated Property
Vc 1.170 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. 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.

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Sources

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