(S)-(+)-sec-butylamine
Structural formula
| Business number | 05AU |
|---|---|
| Molecular formula | C4H11N |
| Molecular weight | 73.14 |
| label |
(S)-(+)-2-Aminobutane, C2H5CH(NH2)CH3 |
Numbering system
CAS number:513-49-5
MDL number:MFCD00001072
EINECS number:208-164-7
RTECS number:EO3327000
BRN number:1718777
PubChem number:24851665
Physical property data
1. Characteristics: Undetermined
2. Density (g/ cm3, 25/4℃): 0.731
3. Relative steam Density (g/cm3, air=1): Undetermined
4. Melting point (ºC): -104
5. Boiling point (ºC, Normal pressure): 63
6. Boiling point (ºC, 8kPa): Undetermined
7. Refractive index: 1.393
8. Flash point (ºF) : -3
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11 . Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation vapor pressure (kPa, 60ºC): 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
1. Acute toxicity: Rat oral LD50: 3800mgkg, no detailed description except lethal dose;
Dog oral LD50: 225mgkg, no detailed description except lethal dose;
Rabbit transdermal LD50: 2500mg/kg, no details except lethal dose;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 96.31
2. Molar volume (cm3/mol): 289.4
3. Isotonic specific volume (90.2K ): 737.2
4. Surface tension (dyne/cm): 42.0
5. Polarizability (10-24cm3): 38.18
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 0.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers:
6. Topological molecules.Physical surface area (TPSA): 26
7, Number of heavy atoms: 5
8, Surface charge: 0
9, Complexity: 19.6
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10. The number of isotope atoms: 0
11. The number of determined atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 1
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
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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 and 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
