2-Methylpiperidine 2-Methylpiperidine

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:109-05-7

MDL number:MFCD00005982

EINECS number:203-642-1

RTECS number:TN1240000

BRN number:79804

PubChem ID:None

Physical property data

1. Properties: colorless liquid with pungent odor. ^[1]

2. Melting point (ºC): -4.2^[2]

3. Boiling point (ºC): 118.2^[3]

4. Relative density (water = 1): 0.84^[4]

5. Octanol /Water partition coefficient: 1.610^[5]

6. Flash point (ºC): 8.33^[6]

7 .Solubility: Miscible with water. ^[7]

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

3. Others^[8] LDLo: 300mg/kg (rabbit subcutaneous)

Ecological data

1. This substance is slightly harmful to water.

2. Ecotoxicity No data available

3. Biodegradability No data

4. Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 31.11

2. Molar volume (cm³/mol): 122.4

3. Isotonic specific volume (90.2K ): 272.3

4. Surface tension (dyne/cm): 24.4

5. Polarizability (10-24cm3): 12.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 52.1

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. Stability^[9] Stable

2. Incompatible materials ^[10] Strong oxidants, strong acids, acid anhydrides, carbon dioxide

3. Hazards of aggregation^[11] No aggregation

Storage method

Storage Precautions^[12] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C. Keep container tightly sealed. They should be stored separately from oxidants, acids, etc., and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as an intermediate in organic synthesis. ^[13]