Structural formula
| Business number | 05JP |
|---|---|
| Molecular formula | C9H13N |
| Molecular weight | 135.21 |
| label |
1-(3-Pyridyl)butane |
Numbering system
CAS number:539-32-2
MDL number:MFCD00010709
EINECS number:208-715-1
RTECS number:US4056000
BRN number:None
PubChem ID:None
Physical property data
1. Character: Undetermined
2. Density (g/ cm3,25/4):0.911
3. Relative vapor density (g/cm3,Air=1 ): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure):80-81
6. Boiling point (ºC,8kPa): Undetermined
7. Refractive index:1.493
8. Flash Point (ºF):174
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
Molecular structure data
1. Molar refractive index: 43.15
2. Molar volume (m3/mol):148.4
3. isotonic specific volume (90.2K):357.5
4. Surface Tension (dyne/cm):33.6
5. Polarizability（10-24cm3):17.10
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 12.9
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 80.8
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
:10
8. Surface charge: 0
9. Complexity: 80.8
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
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