4-Chloro-2,6-diaminopyrimidine

Structural formula

• 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:156-83-2

MDL number:MFCD00006097

EINECS number:205-863-9

RTECS number:None

BRN number:205-863-9

PubChem number:24892606

Physical property data

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Toxicological data

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Ecological data

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Molecular structure data

1. Molar refractive index:35.80

2. Molar volume（cm³/mol）：92.3

3. Isotonic specific volume（ 90.2K) ：283.1

4. Surface tension（dyne/cm) : 88.1

5. Dielectric constant: None

6. Dipole moment（10^-24cm³）：None available

7. Polarizability:14.19

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 77.8

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 98.6

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

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Storage method

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Synthesis method

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Purpose

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According to

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 77.8

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 98.6

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

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Purpose

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