ChemicalBook--->CAS DataBase List--->120-73-0

120-73-0

120-73-0 Structure

120-73-0 Structure
IdentificationMore
[Name]

Purine
[CAS]

120-73-0
[Synonyms]

7H-IMIDAZO[4,5-D]PYRIMIDINE
9H-PURINE
PURINE
TIMTEC-BB SBB004288
1H-Purine
3,5,7-Triazaindole
6H-Imidazo[4,5-d]pyrimidine
7H-Purine
beta-Purine
Imidazo(4,5-d)pyrimidine
Isopurine
NSC 753
X 128
Purine,>98%
1H-Purine (9CI)
imidazolopyrimidine
3H-imidazo[4,5-d]pyrimidine
Purine free base
[EINECS(EC#)]

204-421-2
[Molecular Formula]

C5H4N4
[MDL Number]

MFCD00079221
[Molecular Weight]

120.11
[MOL File]

120-73-0.mol
Chemical PropertiesBack Directory
[Appearance]

very slightly yellow to cream crystalline powder
[Melting point ]

214-217 °C (lit.)
[Boiling point ]

214.09°C (rough estimate)
[density ]

1.3106 (rough estimate)
[refractive index ]

1.7380 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Crystals
[pka]

2.3(at 20℃)
[color ]

White
[Water Solubility ]

400 g/L (20 ºC)
[Merck ]

7942
[BRN ]

3200
[InChI]

1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
[InChIKey]

KDCGOANMDULRCW-UHFFFAOYSA-N
[SMILES]

c1ncc2nc[nH]c2n1
[Uses]

Organic synthesis, metabolism, and biochemi- cal research. (2) One of a number of basic compounds found in living matter and having a purine-type molecular structure.
[CAS DataBase Reference]

120-73-0(CAS DataBase Reference)
[NIST Chemistry Reference]

9H-Purine(120-73-0)
[EPA Substance Registry System]

120-73-0(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

UO7450000
[HS Code ]

29335995
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 intraperitoneal in rat: 800mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

9H-Purine(120-73-0).msds
Hazard InformationBack Directory
[Chemical Properties]

very slightly yellow to cream crystalline powder
[Definition]

A simple nitrogenous organic molecule with a double ring structure. Members of the purine group include adenine and guanine, which are constituents of the nucleic acids, and certain plant alkaloids, such as caffeine and theobromine.
[Definition]

ChEBI: The 9H-tautomer of purine.
[Definition]

purine: An organic nitrogenous base(see formula), sparingly soluble inwater, that gives rise to a group ofbiologically important derivatives,notably adenine and guanine,which occur in nucleotides and nucleicacids (DNA and RNA).
[Biosynthesis]

Basically, the same pathway is found in all organisms capable of purine biosynthesis de novo. The initial substrate is the highly phosphorylated sugar 5-phosphoribosyl-α-1-pyrophosphate (PRPP). An amino group is transferred from glutamine to PRPP catalyzed by the enzyme glutamine PRPP amidotransferase. After that, it takes four reactions to complete the imidazole ring and an additional five reactions to synthesize the pyrimidine moiety and thereby to complete the purine molecule. In some bacteria (e.g., B. subtilis and Escherichia coli), the third step is also catalyzed by a second enzyme (purT) that uses formate instead of a tetrahydrofolic acid derivative as formyl donor. The sixth step has been found to be a two-step reaction, which in some organisms is catalyzed by a single enzyme. The end product of the de novo purine biosynthetic pathway is IMP. After the formation of IMP, purine synthesis splits into two separate pathways leading to the synthesis of AMP and GMP. The control point for feedback inhibition by purine nucleotides and activation by PRPP is on the activity of the first enzyme of the pathway glutamine PRPP amidotransferase. The branching from IMP is regulated by ATP and GTP to ensure a proper balance between ATP and GTP.
[General Description]

Purine is a heterocyclic organic compound constituting a pyrimidine ring fused to an imidazole ring.
[Purification Methods]

It crystallises from toluene or EtOH, and sublimes at 100-150o/0.1mm or 160o/10-4mm. The picrate has m 207-209o after crystallisation from 20volumes of H2O. [Beilstein 26 H 354, 26 III/IV 1736.]
Spectrum DetailBack Directory
[Spectrum Detail]

Purine(120-73-0)MS
Purine(120-73-0)1HNMR
Purine(120-73-0)13CNMR
Purine(120-73-0)IR1
Purine(120-73-0)IR2
Purine(120-73-0)Raman
Purine(120-73-0)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Purine, 99%(120-73-0)
[Sigma Aldrich]

120-73-0(sigmaaldrich)
[TCI AMERICA]

Purine  free base,>98.0%(LC)(T)(120-73-0)
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