1,3-diaminopentane

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:589-37-7

MDL number:MFCD00134550

EINECS number:None

RTECS number:None

BRN number:6796726

PubChem number:24863830

Physical property data

1. Physical property data

1. Boiling point (ºC, normal pressure): 64°C

2. Density: 0.855g/mL at 25 °C (lit.

3. Melting point (ºC): -121

4. Refractive index: n20/D 1.452(lit.)

5. Flash point (ºC): 138 °F

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 32.24

2. Molar volume (cm³/mol) 118.8

3. Isotonic specific volume (90.2K) : 286.5

4. Surface tension (dyne/cm): 33.8

5. Polarizability (10-24cm3): 12.78

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

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4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 37.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Resource:allhdi.com