1H-Purin-6-amine phosphate (1:1)

Basic Information

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CAS Number

52175-10-7

Molecular Formula

C5H8N5O4P

Molecular Weight

233.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Insecticides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

261-263oC

Boiling Point

553.5°C at 760 mmHg

Flash Point

322.7 °C

SMILES

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C1=NC2=NC=NC(=C2N1)N.OP(=O)(O)O

InChI

InChI=1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)

InChIKey

CCHNOBQMQBSRHQ-UHFFFAOYSA-N

LogP

-0.9935000000000003

Topological Polar Surface Area

158.24 Å²

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

177

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

7H-Purin-6-aminephosphate(1:x)
C5H8N5O4P
UNII-RUT8S5GS8Z
FT-0659112
70700-30-0
Adenine phosphate salt
MFCD00035170
BCP12634
DTXSID60200206
7H-Purin-6-amine xphosphate
AM83910
AS-10858
FT-0640048
AC-8319
A852108
ADENINE PHOSPHATE [WHO-DD]
Adenine phosphate
A828955
Adenine phosphate salt, AldrichCPR
EINECS 257-702-7
7H-purin-6-amine; phosphoric acid
AKOS015895413
NS00090469
D70622
7H-Purin-6-amine phosphate
CS-W010348
phosphoric acid;7H-purin-6-amine
7H-Purin-6-amine phosphate(1:x)
SCHEMBL283728
1H-Purin-6-amine, phosphate (1:1)
6-Aminopurinephosphate

MDL Number

MFCD00035170

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Purin-6-amine phosphate (1:1) (CAS: 52175-10-7)?

1H-Purin-6-amine phosphate (1:1) is a solid with a crystalline form. Its molecular weight is approximately 314.15 g/mol. It has a low solubility in water and poor solubility in organic solvents. Chemically, it is moderately reactive, especially under basic conditions. It is stable under normal temperature and pressure but can degrade under acidic conditions.

How is 1H-Purin-6-amine phosphate (1:1) (CAS: 52175-10-7) typically synthesized?

1H-Purin-6-amine phosphate (1:1) is synthesized through a multi-step process involving the reaction of 6-aminopurine with phosphoric acid. The synthesis typically uses a stoichiometric ratio and proceeds under mild conditions. Common solvents include water and water-miscible solvents. The yield is around 80-90%, and the purity can be enhanced through recrystallization.

What industries use 1H-Purin-6-amine phosphate (1:1) (CAS: 52175-10-7)?

1H-Purin-6-amine phosphate (1:1) is mainly used in the pharmaceutical industry for the development of antiviral and anticancer drugs. It also finds applications in biochemical research, particularly in the study of nucleic acid metabolism and in the synthesis of nucleoside analogs. Additionally, it is used in the development of sensors and as a component in certain polymers.

What precautions should be taken when handling 1H-Purin-6-amine phosphate (1:1) (CAS: 52175-10-7)?

When handling 1H-Purin-6-amine phosphate (1:1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and disposed of according to safety data sheet (SDS) guidelines. Always refer to the SDS for detailed handling instructions and emergency procedures.