Purine Purine

Purine structural formula

Structural formula

Business number 03CR
Molecular formula C5H4N4
Molecular weight 120.11
label

Purine (reagent),

purine,

imidazopyrimidine,

7H-imidazole[4,5-d]pyrimidine,

1H-Purine,

3,5,7-Triazaindole,

6H-Imidazo[4,5-d]pyrimidine,

7H-Purine,

beta-Purine,

Imidazo(4,5-d)pyrimidine,

Isopurine,

NSC 753,

Heterocyclic compounds

Numbering system

CAS number:120-73-0

MDL number:MFCD00079221

EINECS number:204-421-2

RTECS number:UO7450000

BRN number:3200

PubChem number:24898231

Physical property data

None yet

Toxicological data

1. Acute toxicity: rat peritoneal cavity LD50: 800mg/kg

2. Oncogenic toxicity: rat subcutaneous TDLO: 156mg/kg/8W-I

3. Mutagenic toxicity: E. coli phage inhibitory ability: 1g/L

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 32.80

2. Molar volume (cm3/mol): 81.5

3. Isotonic specific volume (90.2K ): 253.1

4. Surface tension (dyne/cm): 92.8

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 13.00

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 4

6. Topological molecule polar surface area 54.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 105

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/43409

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