Chemical Properties of 9H-purine, 2,6-diamino-9-benzyl- (CAS 7674-36-4)

9H-purine, 2,6-diamino-9-benzyl-

InChI
InChI=1S/C12H12N6/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,16,17)
InChI Key
DRGHOMRXJSSSBT-UHFFFAOYSA-N
Formula
C12H12N6
SMILES
N=c1nc2c(ncn2Cc2ccccc2)c(N)[nH]1
Molecular Weight1
240.26
CAS
7674-36-4
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Physical Properties

Property Value Unit Source
ω 0.7634 Relay (1.0) Calculated Property
ΔfG° 523.39 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 357.56 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 146.30 kJ/mol Relay (1.0) Calculated Property
IE 7.73 eV Relay (1.0) Calculated Property
log10WS -3.78 Relay (1.0) Calculated Property
logPoct/wat 0.387 Crippen Calculated Property
McVol 177.140 ml/mol McGowan Calculated Property
Pc 4622.24 kPa Relay (1.0-beta) Calculated Property
Tboil 681.06 K Relay (1.0) Calculated Property
Tc 1086.60 K Relay (1.0) Calculated Property
Tfus 584.28 K Relay (1.0) Calculated Property
Vc 0.647 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9H-purine, 2-amino-6-aziridinyl-9-benzyl-. Adenine, 9-benzyl-2-fluoro-. 9H-purine-6(1h)-thione, 2-amino-9-benzyl-. Ethanol, 2,2'-[(9-benzyl-9h-purin-6-yl)imino]di-. 9H-purine, 6-aziridinyl-9-benzyl-2-chloro-. p-Toluenesulfonamide, alpha-9H-adenin-9-yl-. Hypoxanthine, 2-(1-aziridinyl)-9-benzyl-. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS.

Find more compounds similar to 9H-purine, 2,6-diamino-9-benzyl-.

Sources

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