structural formula

business number	02ak
molecular formula	c5h13n
molecular weight	87.16
label	2-methyl-1-butylamine, 1-amino-2-methylbutane, 1-amino-2-methylbutane, 2-methyl-1-butylamine

• 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:96-15-1

mdl number:mfcd00008147

einecs number:202-483-5

rtecs number:none

brn number:1718806

pubchem number:24853176

physical property data

1. properties: colorless liquid.

2. density (g/ml, 20℃): 0.738

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 94-97

6. boiling point (ºc, kpa): undetermined

p>

7. refractive index _(n²⁰_d): 1.4116

8. flash point (ºc ): 3

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11 . vapor pressure (mmhg, ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) log value of distribution coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 28.70

2. molar volume (cm³/mol): 115.1

3. isotonic specific volume (90.2k ): 257.4

4. surface tension (dyne/cm): 25.0

5. polarizability (10-24cm3): 11.38

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 26

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 27.1

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

1. exist in smoke.

storage method

none

synthesis method

none

purpose

used in organic synthesis.

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