Chemical Properties of Adeptolon, N-desethyl, acetylated

Adeptolon, N-desethyl, acetylated

InChI
InChI=1S/C16H18BrN3O/c1-13(21)19(2)11-12-20(16-5-3-4-10-18-16)15-8-6-14(17)7-9-15/h3-10H,11-12H2,1-2H3
InChI Key
ZRQIBQJSGUCEDN-UHFFFAOYSA-N
Formula
C16H18BrN3O
SMILES
CC(=O)N(C)CCN(c1ccc(Br)cc1)c1ccccn1
Molecular Weight1
348.24
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Physical Properties

Property Value Unit Source
ω 0.7080 Relay (1.0) Calculated Property
ΔfG° 342.89 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 27.56 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 110.24 kJ/mol Relay (1.0) Calculated Property
IE 8.08 eV Relay (1.0) Calculated Property
log10WS -3.12 Relay (1.0) Calculated Property
logPoct/wat 3.460 Crippen Calculated Property
McVol 237.790 ml/mol McGowan Calculated Property
Pc 2455.51 kPa Relay (1.0-beta) Calculated Property
Inp 2470.00 NIST
Tboil 673.02 K Relay (1.0) Calculated Property
Tc 951.81 K Relay (1.0) Calculated Property
Tfus 350.52 K Relay (1.0) Calculated Property
Vc 0.837 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adeptolon. Adeptolon, N-desethyl-hydroxy, acetylated. Adeptolon, hydroxy, acetylated. Isothipendyl M (nor-), acetylated. Prothipendyl M (nor-), acetylated. Isothipendyl M (nor-hydroxy-), acetylated. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. Metergoline. THYMIDINE, 3'-(O-TERT.-BUTYLDIMETHYLSILYL)-5'-ACETYL-. Uridine, 3'-O-TBDMS. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. 2'-Deoxyuridine, 3'-O-TBDMS. Prothipendyl M (bis-nor-), monoacetylated. Isothipendyl M (bis-nor-), acetylated. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl.

Find more compounds similar to Adeptolon, N-desethyl, acetylated.

Sources

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