Chemical Properties of Adenine, N,N'-diacetyl-

Adenine, N,N'-diacetyl-

InChI
InChI=1S/C9H9N5O2/c1-5(15)13-8-7-9(11-3-10-8)14(4-12-7)6(2)16/h3-4H,1-2H3,(H,10,11,13,15)
InChI Key
OWRXXSJEYLRZTG-UHFFFAOYSA-N
Formula
C9H9N5O2
SMILES
CC(=O)Nc1ncnc2c1ncn2C(C)=O
Molecular Weight1
219.20
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Physical Properties

Property Value Unit Source
ω 0.6998 Relay (1.0) Calculated Property
ΔfG° 176.35 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -128.54 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 99.28 kJ/mol Relay (1.0) Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -2.50 Relay (1.0) Calculated Property
logPoct/wat 0.445 Crippen Calculated Property
McVol 151.790 ml/mol McGowan Calculated Property
Pc 4816.85 kPa Relay (1.0-beta) Calculated Property
Inp 1972.00 NIST
Tboil 604.31 K Relay (1.0) Calculated Property
Tc 973.52 K Relay (1.0) Calculated Property
Tfus 511.16 K Relay (1.0) Calculated Property
Vc 0.584 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adenine, 6-n-benzyl-9-cyclopentyl-. [2H3]Dihydrozeatin nucleotide, permethylated. Adenosine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate). 2',3'-Di-O-acetyladenosine, trimethylsilyl ether. 4',5'-Diiodofluorescein. N6-acetyl-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-acetyl. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. [(3S,4r,5s)-4-acetyloxy-5-(acetyloxymethyl)-2-(2,6-diaminopurin-9-yl)oxolan-3-yl] acetate. 9H-purine, 2,6-difluoro-9-beta-d-xylofuranosyl-, 2',3',5'-triacetate. 9H-purine, 6-hydrazino-9-(2-hydroxycyclohexyl)-, cis-. Acetylgynuramine. Quinine, trimethylsilyl ether. Methyldihydromorphine. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Hydrocodone.

Find more compounds similar to Adenine, N,N'-diacetyl-.

Sources

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