N-Methylcyclohexylamine N-Methylcyclohexylamine

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:100-60-7

MDL number:MFCD00003832

EINECS number:202-869-3

RTECS number:GX1529000

BRN number:1523664

PubChem ID:None

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 20℃): 0.868

3. Relative vapor density (g/mL, air=1 ): 3.2

4. Melting point (ºC): -8

5. Boiling point (ºC, normal pressure): 149

6. Boiling point (ºC, 4.67KPa): 61-63

7. Refractive index: 1.4560

8. Flash point (ºC): 29

9. Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water, Can be dissolved in benzene, alcohol, etc.

Toxicological data

Acute toxicity: Rat oral LD50: 400mg/kg; Rabbit skin contact LDL0: 2mg/kg; Guinea pig inhalation LC50: 7000mg/m³/1H;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 36.03

2. Molar volume (cm³/mol): 133.8

3. Isotonic specific volume (90.2K ): 306.9

4. Surface tension (dyne/cm): 27.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 14.28

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Hydrogen bond supplyNumber of entities: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers :None

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 55.4

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Uncertain atoms Number of stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

This product has an ammonia smell and a bitter taste. It is irritating to the skin and has low toxicity. Wear protective masks and gloves during production and application. Rinse with plenty of water after accidental contact.

Storage method

Flammable liquids should be stored in a sealed container, placed in a ventilated and cool place, away from fire and heat sources, and transported in a fireproof manner.

Synthesis method

1. Prepared from cyclohexylamine as raw material.

2. From cyclohexanone and Derived from the reaction of methylamine. Soak the aluminum sheet in methanol, add high mercury chloride, and continue soaking for 2 hours. The temperature does not exceed 55°C, and the soaking liquid is removed. Add ethanol to the above-mentioned activated aluminum flakes, add a mixture of methylamine and cyclohexanone dropwise under stirring, heat to reflux, and leave overnight. Add 10% sodium hydroxide solution to alkalize, extract twice with benzene, wash with water and then distill. After benzene is recovered, N-methylcyclohexylamine is distilled off. The yield is about 80%.

Purpose

Drug and dye intermediates. Used as an intermediate for the drug hexylamine bromide hydrochloride.