BDMAEE

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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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