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