1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1)

Basic Information

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CAS Number

317-34-0

Molecular Formula

C16H24N10O4

Molecular Weight

420.43 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

269-270 ºC

Boiling Point

869.7°C at 760 mmHg

Density

1.5140

Flash Point

454.1°Cat760mmHg

Solubility

H2O: 3.7 mg/mL solutions should be freshly prepared.

SMILES

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Cn1c(=O)n(C)c2nc[nH]c2c1=O.Cn1c(=O)n(C)c2nc[nH]c2c1=O.NCCN

InChI

InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2

InChIKey

FQPFAHBPWDRTLU-UHFFFAOYSA-N

LogP

-3.1755999999999984

Topological Polar Surface Area

197.40000000000003 Å²

Hydrogen Bond Donor/Acceptor

6 / 14

Complexity

273

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 orally in mice: 540 mg/kg (Thompson, Warren)

Synonyms & References

English

Aminophylline
Aminophylline anhydrous
Theophylline, compound with ethylenediamine (2 to 1) dihydrate
Aminophylline hydrate
aminophyllin hydrate
theophylline--ethylenediamine (2:1)
1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE COMPOUND WITH ETHANE-1,2-DIAMINE
1-(2-AMinoethyl)piperidine
aminodur
carena
cariomin
dobo
eufilina
euufilin
lasodex
tefamin
theomin
Theophylline-ethylenediamine-addition compound (2:1)
3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione cmpd. with 1,2-ethanediamine (2:1)
1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
ethane-1,2-diamine (2:1)

MDL Number

MFCD00013221

Customs Code

2939590000

FAQ

What is 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1) (CAS: 317-34-0)?

1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1), with CAS number 317-34-0, is a synthetic organic compound formed by the reaction of 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione and 1,2-ethanediamine in a 2:1 molar ratio. It is a white solid with moderate solubility in polar solvents and exhibits structural features relevant to nucleotide derivatives.

What are the main uses of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1) (CAS: 317-34-0)?

This compound is primarily used in pharmaceutical research as an intermediate for synthesizing nucleoside analogs and drug molecules. It also finds applications in organic synthesis for creating heterocyclic compounds and in industrial processes involving chemical functionalization. Its utility stems from the reactivity of the purine ring and ethylenediamine components.

Is 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1) (CAS: 317-34-0) safe?

Safety of 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1) (CAS: 317-34-0) depends on handling conditions. It may pose health risks via inhalation or skin contact; thus, protective gear like gloves and goggles is recommended. Always follow OSHA and EPA guidelines for chemical exposure and disposal to ensure safety.

How should 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1) (CAS: 317-34-0) be stored?

Store 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,2-ethanediamine (2:1) (CAS: 317-34-0) in a sealed, cool (2-8°C), and dry environment, away from light. Keep it in airtight containers to prevent moisture absorption and avoid contact with strong oxidizing agents. Ensure proper labeling and storage in accordance with chemical safety standards.