Chemical Properties of L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester

L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester

InChI
InChI=1S/C17H32N4O4S/c1-7-24-16(22)14(18-12-20(3)4)9-10-26-11-15(17(23)25-8-2)19-13-21(5)6/h12-15H,7-11H2,1-6H3
InChI Key
NCBAWTFQLBEJKQ-UHFFFAOYSA-N
Formula
C17H32N4O4S
SMILES
CCOC(=O)C(CCSCC(N=CN(C)C)C(=O)OCC)N=CN(C)C
Molecular Weight1
388.52
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Physical Properties

Property Value Unit Source
ω 0.8778 Relay (1.0) Calculated Property
ΔfG° -66.68 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -687.10 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 101.94 kJ/mol Relay (1.0) Calculated Property
IE 7.38 eV Relay (1.0) Calculated Property
log10WS -1.84 Relay (1.0) Calculated Property
logPoct/wat 1.153 Crippen Calculated Property
McVol 312.940 ml/mol McGowan Calculated Property
Pc 1157.71 kPa Joback Calculated Property
Inp 2645.00 NIST
Tboil 654.77 K Relay (1.0) Calculated Property
Tc 853.59 K Relay (1.0) Calculated Property
Tfus 304.64 K Relay (1.0) Calculated Property
Vc 1.101 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester. L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. (Z)-Cnidimine. (E)-Cnidimine. 7-acetyl-9-curassavoylheliotridine. Benazepril desethyl 3Me (Benazeprilate 3Me). 5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Zinc octaethylporphyrin chloride. Retroisosensine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Retroisosenine. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS.

Find more compounds similar to L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester.

Sources

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