Chemical Properties of Benzenesulfonamide, p-[2-(purin-6-ylamino)ethyl]- (CAS 21266-67-1)

Benzenesulfonamide, p-[2-(purin-6-ylamino)ethyl]-

InChI
InChI=1S/C13H14N6O2S/c14-22(20,21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12/h1-4,7-8H,5-6H2,(H2,14,20,21)(H2,15,16,17,18,19)
InChI Key
HNTKMTOFOQSLQA-UHFFFAOYSA-N
Formula
C13H14N6O2S
SMILES
NS(=O)(=O)c1ccc(CCNc2ncnc3nc[nH]c23)cc1
Molecular Weight1
318.35
CAS
21266-67-1
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 0.8916 Relay (1.0) Calculated Property
ΔfG° 317.47 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 32.70 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 152.34 kJ/mol Relay (1.0) Calculated Property
IE 8.42 eV Relay (1.0) Calculated Property
log10WS -3.78 Relay (1.0) Calculated Property
logPoct/wat 0.173 Crippen Calculated Property
McVol 219.320 ml/mol McGowan Calculated Property
Pc 3927.22 kPa Relay (1.0-beta) Calculated Property
Tboil 726.71 K Relay (1.0) Calculated Property
Tc 1156.47 K Relay (1.0) Calculated Property
Tfus 518.71 K Relay (1.0) Calculated Property
Vc 0.794 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

inosine-5'-monophosphate, TMS. xanthosine-5'-monophosphate, TMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Quinine, trimethylsilyl ether. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. [2H3]Dihydrozeatin nucleotide, permethylated. 2-hydroxy-2-phenylethyl glucosinolate, TMS. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl. Normorphine TMS. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline.

Find more compounds similar to Benzenesulfonamide, p-[2-(purin-6-ylamino)ethyl]-.

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.