N-Benzyl-9H-purin-6-amine

Basic Information

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CAS Number

1214-39-7

Molecular Formula

C12H11N5

Molecular Weight

225.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

230-233 °C

Boiling Point

145 °C

Water Solubility

Soluble in water, methanol and acetone. Slightly soluble in ethyl acetate and dichloromethane and toluene. Insoluble in n-hexane.

Flash Point

103 °F

Solubility

H2O: soluble

Refractive Index

n20/D 1.418(lit.)

Vapor Pressure

3.3 mm Hg ( 20 °C)

SMILES

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C(Nc1ncnc2[nH]cnc12)c3ccccc3

InChI

InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)

InChIKey

NWBJYWHLCVSVIJ-UHFFFAOYSA-N

LogP

1.9649999999999999

Topological Polar Surface Area

66.49000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

241

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H316 Causes mild skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

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

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Storage Conditions

2-8℃

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

6-Benzylaminopurine
Adenine,N-benzyl-
Benzyladenine
benzylaminopurine
Cytokinin B
N6-Benzyladenine
N-(phenylmethyl)-1H-purin-6-amine
Purin-6-amine, N-(phenylmethyl)-
Verdan senescence inhibitor
Kinetin( 6-Furfurylaminopurine)
6-BA
6-Benzylaminopurine(6-BA)
6-benzyladenine
6-(n-Benzyl) Aminopurin
3 -Indole butyric acid
6-(N-BENZYL)AMINOPURINE
6-Benzylaminopurine Solution
6-Benzylaminopurine Standard
BENZYLAMINOPURINE, 6-(RG)
6-BAP
N-benzyl-7H-purin-6-amine
N-Benzyl-adenine
Benzyl(purin-6-yl)amine
BA
N-Benzyl-9H-purin-6-amine
N-Benzyladenine
6-(Benzylamino)purine
Adenine, N-benzyl-
N(6)-Benzylaminopurine
Aminopurine, 6-benzyl
BA (Growth stimulant)

MDL Number

MFCD00005572

Customs Code

2933990090

FAQ

What is N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7)?

N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7) is a purine derivative with the chemical formula C15H14N4O. It features a benzyl group attached to the 6-amine position of purine, making it a key intermediate in pharmaceutical and organic synthesis. This compound is typically a white solid with moderate solubility in polar solvents like DMSO. Its structure and reactivity are critical in developing bioactive molecules and research applications.

What are the main uses of N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7)?

N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7) is widely used in pharmaceutical research for synthesizing nucleoside analogs and antiviral agents. It also serves as an industrial chemical in drug development and as a research compound for studying purine-based interactions. Its applications are supported by its role in organic chemistry as a versatile building block for creating complex molecules with therapeutic potential.

Is N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7) safe?

N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7) is generally considered safe when handled properly, but it requires standard lab precautions. Safety data suggests it may have mild irritant properties, so protective measures like gloves and eye protection are recommended. Always follow safety guidelines and consult material safety data sheets (MSDS) for detailed handling information.

How should N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7) be stored?

N-Benzyl-9H-purin-6-amine (CAS: 1214-39-7) should be stored in a cool, dry place (below 25°C), away from light and moisture. Keep it in a sealed, airtight container to maintain stability. Avoid exposure to incompatible substances and ensure proper ventilation. Storage conditions are crucial to prevent degradation and ensure safety during handling.