N(2),9-Diacetylguanine - CAS 3056-33-5
Catalog: |
BB020642 |
Product Name: |
N(2),9-Diacetylguanine |
CAS: |
3056-33-5 |
Synonyms: |
N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide; N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide |
IUPAC Name: | N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide |
Description: | N(2),9-Diacetylguanine (CAS# 3056-33-5) is used to synthesize acyclic analogues of deoxyguanosine. |
Molecular Weight: | 235.20 |
Molecular Formula: | C9H9N5O3 |
Canonical SMILES: | CC(=O)NC1=NC2=C(C(=O)N1)N=CN2C(=O)C |
InChI: | InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17) |
InChI Key: | GILZZWCROUGLIS-UHFFFAOYSA-N |
Density: | 1.67 g/cm3 |
MDL: | MFCD00142116 |
LogP: | -0.18890 |
GHS Hazard Statement: | H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214260-A | Synthesis method of 2-acetamido-9-acetyl purine | 20210510 |
CN-113292564-A | Synthetic method of 2-amino-6-chloropurine | 20210510 |
CN-111777611-A | Preparation method of acyclovir intermediate N (2), 9-diacetylguanine | 20200817 |
CN-111892047-A | Vanadium nitride hybrid and nitrogen-doped porous carbon material and preparation method and application thereof | 20200525 |
WO-2020029647-A1 | Method for synthesizing nucleoside compound and intermediate thereof | 20180807 |
PMID | Publication Date | Title | Journal |
22832875 | 20120725 | Synthesis of 9,9'-[1,2-ethanediylbis(oxymethylene)]bis-2-amino-1,9-dihydro-6H-purin-6-one, an impurity of acyclovir | Molecules (Basel, Switzerland) |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.07053917 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.07053917 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 105 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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