N,N-Dimethylcyclohexylamine N,N-Dimethylcyclohexylamine

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:98-94-2

MDL number:MFCD00003844

EINECS number:202-715-5

RTECS number:GX1198000

BRN number:1919922

PubChem number:24864943

Physical property data

1. Properties: colorless liquid^[1]

2. Melting point (℃): -33.5^[2]

3. Boiling point (℃): 118~120^[3]

4. Relative density (water=1): 0.78^[4]

5. Relative vapor density (air=1): 3.02^[5]

6. Saturated vapor pressure ( kPa): 1.33 (10.2℃)^[6]

7. Critical pressure (MPa): 2.93^[7]

8. Octanol/water partition coefficient: 4.01^[8]

9. Flash point (℃): 7.22^[9]

10. Ignition temperature (℃): 304^[10]

11. Explosion upper limit (%): 6.1^[11]

12. Lower explosion limit (%): 0.9^[12]

13. Solubility: insoluble in water, soluble in most organic substances such as ethanol and ether Solvent. ^[13]

Toxicological data

1. Acute toxicity:

Rat oral LD50: 348mg/kg; rat inhalation LC50: 1889mg/m3/2H; rat skin contact LD50: 370mg/kg; mouse oral LD50: 320mg/kg; mouse inhalation LC50: 1100mg/m3/2H; rabbit oral LD50: 620mg/kg; guinea pig oral LD50: 520mg/kg;

2. Acute toxicity^[14]

LD50: 348mg/kg (rat oral)

LC50: 1889mg/m³(Rat inhalation, 2h)

3. Irritation No information available

Ecological data

1. Ecotoxicity^[15]

LC50: 22~46mg/L (96h) (high-bodied yarrow)

EC50: 89mg/L (96h) (Scenedesmus)

2. Biodegradability No data yet

3 .Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 40.89

2. Molar volume (cm³/mol): 149.3

3. Isotonic specific volume (90.2K ): 345.1

4. Surface tension (dyne/cm): 28.5

5. Polarizability: 16.21

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 72.6

10. Number of isotope atoms: 0

11. ConfirmDetermined number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined 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^[16] Stable

2. Incompatible substances^[17] Strong oxidants, strong acids, acid chlorides, acid anhydrides

3. Conditions to avoid contact^[18] Heating

4. Hazards of aggregation^[19] No aggregation

Storage method

1. Storage precautions ^[20] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. 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.

2. Packed in iron drums, 50kg/barrel, 170kg/barrel. Secondary flammable liquids should be stored in a sealed container, kept in a cool place, away from fire and heat sources, and transported in a fireproof manner.

Synthesis method

Purpose

1. Used as catalyst, intermediate for rubber accelerator, and for fabric treatment. ^[21]