3-Benzyl-3H-purin-6-amine

Basic Information

View in Editor

CAS Number

7280-81-1

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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

268-275 °C

SMILES

View in Editor

C1=CC=C(C=C1)CN2C=NC(=N)C3=C2N=CN3

InChI

InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2

InChIKey

ZRRXJVVXTVXDII-UHFFFAOYSA-N

LogP

1.4084

Topological Polar Surface Area

69.62 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

321

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

3-Bzade
3-benzyl-7H-purin-6-imine
Adenine, 3-benzyl-
NSC76926
CS-0359756
FT-0752309
DTXSID30223124
3-Benzyladenine, 95%
Oprea1_165750
BDBM50488844
3H-Purin-6-amine, 3-(phenylmethyl)-
NSC-76926
3H-Purin-6-amine,3-(phenylmethyl)-
3-benzyl-3H-purin-6-amine
3-Benzyladenine
MFCD02167626
3-benzylpurin-6-amine
SCHEMBL5352368
AB-323/13887461
7280-81-1
CHEMBL2296739
NCIOpen2_003912
NSC 76926
3-Benzyl-3H-Purin-6-Amine
3-BENZYLADENINE
3-benzyl-3H-purin-6-ylamine
3-Benzyl-7-methyladenin
3-Benzyl-adenin
3H-Purin-6-amine,3-(phenylmethyl)
6-Amino-3-benzylpurin
Adenine,3-benzyl

MDL Number

MFCD02167626

FAQ

What are the physical and chemical properties of 3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1)?

3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1) is a crystalline solid with a molecular weight of approximately 229.27 g/mol. It is soluble in organic solvents such as methanol and dimethylformamide. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It has a pKa of about 8.5.

How is 3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1) typically synthesized?

3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1) is typically synthesized through the reaction of 6-aminopurine with benzyl chloride in the presence of a base like sodium hydride. The yield is generally around 70-80%, and the reaction is carried out in a solvent such as dimethylformamide (DMF).

What industries use 3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1)?

3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1) is primarily used in the pharmaceutical industry for the development of antiviral and anticancer drugs. It is also used in the synthesis of certain polymers and sensors due to its unique chemical structure.

What precautions should be taken when handling 3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1)?

When handling 3-Benzyl-3H-purin-6-amine (CAS: 7280-81-1), it is important to use appropriate personal protective equipment (PPE) such as gloves and laboratory coats. Work should be conducted in a well-ventilated area or fume hood. In case of a spill, it should be immediately cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.