5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol

Basic Information

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CAS Number

686301-48-4

Molecular Formula

C12H20N6O

Molecular Weight

264.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

146-148°C

Solubility

H2O: ≥24mg/mL

SMILES

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C1=NC(=C2C(=N1)N(C=N2)CCNCCCCCO)N

InChI

InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)

InChIKey

CVPTTZZCRDVGSU-UHFFFAOYSA-N

LogP

0.16070000000000018

Topological Polar Surface Area

101.88 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

254

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

CS-0003352
TS-07999
MFCD03086724
Q27281348
J89QT81NBQ
UNII-J89QT81NBQ
HTS-09836
HTS 09836
SCHEMBL13697544
5-((2-(6-Amino-9H-purin-9-yl)ethyl)amino)pentan-1-ol
NS00069876
1-Pentanol, 5-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-
5-[[2-(6-Amino-9H-purin-9-yl)ethyl]amino]-1-pentanol; HTS 09836
BDBM50521069
NB001
5-[2-(6-aminopurin-9-yl)ethylamino]pentan-1-ol
5-{[2-(6-amino-9H-purin-9-yl)ethyl]amino}pentan-1-ol
DTXSID30384648
NB-001
NB001, >=98% (HPLC)
NB 001
686301-48-4
5-{[2-(6-AMINO-9H-PURIN-9-YL)ETHYL]AMINO}-1-PENTANOL
AKOS027320708
5-[[2-(6-amino-9h-purin-9-yl)ethyl]amino]-1-pentanol
HY-14425
CHEMBL4297305
FT-0662044
NCGC00485185-01
DB12716
5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol

MDL Number

MFCD03086724

FAQ

What are the physical and chemical properties of 5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol (CAS: 686301-48-4)?

5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol is a crystalline compound with a molecular weight of approximately 327.28 g/mol. It has a high solubility in water and organic solvents. Chemically, it is relatively stable but can react with strong acids to form salts. Its reactivity is moderate, and it is used in the pharmaceutical industry for its biological activity.

How is 5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol (CAS: 686301-48-4) typically synthesized?

5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol is synthesized using a multi-step process involving the condensation of 6-amino-9H-purin-9-yl ethylamine with 1-pentanol. The reaction is catalyzed by a mild acid and proceeds with high selectivity. The yield is typically around 75-85%, and the method is reproducible.

What industries use 5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol (CAS: 686301-48-4)?

5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol is primarily used in the pharmaceutical industry due to its biological activity. It is also explored for its potential applications in polymers and sensors, although its use in these sectors is less common compared to pharmaceuticals.

What precautions should be taken when handling 5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol (CAS: 686301-48-4)?

When handling 5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}-1-pentanol, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled using appropriate spill kits and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.