8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Basic Information

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CAS Number

2879-15-4

Molecular Formula

C14H14N4O2

Molecular Weight

270.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

298-300 ºC

SMILES

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CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)

InChIKey

SWKGFZTXWQMFLK-UHFFFAOYSA-N

LogP

0.5510999999999999

Topological Polar Surface Area

72.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

408

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SWKGFZTXWQMFLK-UHFFFAOYSA-N
AKOS037643320
AS-13814
BDBM50014530
8-benzyl-1, 3-dimethyl-7H-purine-2, 6-dione
AM84891
8-benzyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
A819593
EINECS 220-725-8
NSC14131
8-Benzyl-1,3-dimethyl-5,9-dihydro-4H-purine-2,6-dione
Oprea1_363271
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-(phenylmethyl)-
Theophylline, 8-benzyl-
8-Benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Benzyl-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
8-Benzyl-1,1,3-trimethyl-3,9-dihydro-purine-2,6-dione(Benzyl Theophylline)
8-Benzyltheophylline
8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
DTXSID40182970
NSC-14131
W-107028
AC-13626
2879-15-4
8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
NSC 14131
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-
D95902
8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
SCHEMBL516456
8-benzyl-1,3-dimethyl-7H-purine-2,6-dione

MDL Number

MFCD00067027

Customs Code

2933990090

FAQ

What is 8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 2879-15-4)?

8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is a purine derivative with the CAS number 2879-15-4. It is a colorless crystalline compound with a molecular formula of C12H15N5O2. This compound is characterized by its purine backbone and benzyl substituent, which makes it useful in various applications including pharmaceuticals and research.

What are the main uses of 8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 2879-15-4)?

8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 2879-15-4) is primarily used in the pharmaceutical industry as a precursor for the synthesis of antiviral and antifungal drugs. It also serves as a research tool in biochemistry and molecular biology due to its purine structure.

Is 8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 2879-15-4) safe?

8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 2879-15-4) is generally safe when handled with appropriate precautions. Users should avoid contact with skin and eyes and store the compound in a cool, dry place away from direct sunlight. It is important to follow all safety guidelines provided by the manufacturer.

How should 8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 2879-15-4) be stored?

8-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 2879-15-4) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a well-ventilated area and in a tightly sealed container to protect it from moisture. The compound is stable at room temperature but should be protected from extreme temperature changes.