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Purine

Purine structure

CAS No:
120-73-0
Formula:
C5H4N4
Chemical Name:
Purine
Synonyms:
9H-Purine;Purine;1H-Purine;3,5,7-Triazaindole;β-Purine;3H-Imidazo[4,5-d]pyrimidine;Isopurine;7H-Purine;NSC 753;6H-Imidazo[4,5-d]pyrimidine;111055-93-7;273-25-6;273-26-7;51953-03-8;915749-01-8
Categories:
Biochemical Engineering > Nucleoside Drugs

Description

very slightly yellow to cream crystalline powderA 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. 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 (DN

Solid

7H-purine is the 7H-tautomer of purine. It is a tautomer of a 1H-purine, a 3H-purine and a 9H-purine.

Purine Basic Attributes

Molecular Weight：

120.11200

Exact Mass：

120.11

EC Number：

204-421-2

UNII：

W60KTZ3IZY

NSC Number：

753

DSSTox ID：

DTXSID5074470

HScode：

2933990090

Characteristics

PSA：

54.46000

XLogP3：

-0.4

Appearance：

Solid

Density：

1.472g/cm3

Melting Point：

216.5 °C

Boiling Point：

424ºC at 760mmHg

Flash Point：

225.4ºC

Refractive Index：

1.828

Water Solubility：

H2O: 400 g/L (20 ºC)

Storage Conditions：

2-8ºC

Vapor Pressure：

0.0976mmHg at 25°C

Toxicity：

LD50 intraperitoneal in rat: 800mg/kg

Collision Cross Section：

121.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|125.4 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|117.7 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|121.9 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|114.3 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|114.6 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

RTECS Number：

UO7450000

Drug Information

MeSH Entry Terms：

purine

Purine Use and Manufacturing

Significant component of may biomolecules.

Computed Properties

Molecular Weight:120.11
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:120.043596145
Monoisotopic Mass:120.043596145
Topological Polar Surface Area:54.5
Heavy Atom Count:9
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrahydrofuran

Dimethylformamide

Benzene

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Guide of Purine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
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Purine

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