Chemical Properties of Adenine, 6-n-benzyl-9-cyclopentyl- (CAS 35966-95-1)

Adenine, 6-n-benzyl-9-cyclopentyl-

InChI
InChI=1S/C17H19N5/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)
InChI Key
XBJJYCQQGSHMNQ-UHFFFAOYSA-N
Formula
C17H19N5
SMILES
c1ccc(CNc2ncnc3c2ncn3C2CCCC2)cc1
Molecular Weight1
293.37
CAS
35966-95-1
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Physical Properties

Property Value Unit Source
ω 0.6924 Relay (1.0) Calculated Property
ΔfG° 564.89 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 311.86 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 120.34 kJ/mol Relay (1.0) Calculated Property
IE 8.00 eV Relay (1.0) Calculated Property
log10WS -4.84 Relay (1.0) Calculated Property
logPoct/wat 3.554 Crippen Calculated Property
McVol 226.750 ml/mol McGowan Calculated Property
Pc 2767.08 kPa Relay (1.0-beta) Calculated Property
Tboil 703.45 K Relay (1.0) Calculated Property
Tc 1061.29 K Relay (1.0) Calculated Property
Tfus 442.35 K Relay (1.0) Calculated Property
Vc 0.847 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Hydromorphone. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Dihydromorphinone acetate. Methyldihydromorphine. Hydrocodone. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Acetyldihydrocodeine. Dihydromorphine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. [2H6]Isopentenyladenine nucleotide, permethylated. 3'-dihydrocinnamoylindicine. Nicodicodine. Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3«alpha»,14«alpha»,16«alpha»)-. TCN. QUINIDINE, M(HO-), AC.

Find more compounds similar to Adenine, 6-n-benzyl-9-cyclopentyl-.

Sources

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