Lupinin

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Lupinin structural formula

Structural formula

Business number 0532
Molecular formula C10H19NO
Molecular weight 169.27
label

lupine,

Octahydro-2H-quinolazin-1-ylmethanol

Numbering system

CAS number:486-70-4

MDL number:MFCD00213431

EINECS number:207-638-0

RTECS number:OK5802000

BRN number:80447

PubChem ID:None

Physical property data

1. Character: Undetermined


2. Density (g/ m3,25/4): Undetermined


3. Relative vapor density (g/cm3,AIR=1): Undetermined


4. Melting point (ºC):62-65


5. Boiling point (ºC,Normal pressure):160-164


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flash Point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. saturated vapor pressure (kPa,60ºC): Not OK


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Water) logarithm of the partition coefficient : Undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

Acute toxicity: mice subcutaneously LDLo: 50mg/kg, excited behavior muscle contraction or spasm, respiratory depression;


Mouse transvenousLD50: 15mg/kg, Tremorous Behavior Muscle contractions or spasms, lungs, chest or breathing Change;


Cat VeinLD50: 100 mg/kg, shaking behavior muscle contractions or spasms, changes in lungs, chest, or breathing ;


Guinea pig intraperitoneally LD50: 28mg/kg, No details other than 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:49.63


2 Molar volumem3/mol):161.8


3 Isotonic specific volume90.2K):410.7


4, Surface tension(3.0 dyne/cm ): 41.5


5 Polarizability(0.5 10-24cm3):19.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 23.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 149

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

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

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None

Purpose

None

Resource:allhdi.com

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