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:72-80-0

MDL number:MFCD00023984

EINECS number:200-789-3

RTECS number:VC5600000

BRN number:156683

PubChem number:24893930

Physical property data

1. Character: Uncertain

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC):108-112 (dec.)(lit.)

5. Boiling point (ºC,Normal pressure): Unsure

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

7. Refractive index:Not sure

8. Flash Point (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

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

12. Saturated vapor pressure (kPa,60 ºC): Unsure

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain

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

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

19. Solubility:Insoluble in water

Toxicological data

Acute toxicity: Rat oral administration LD50: 660 mg/kg; dog oral administration LD50: 2250 mg/kg;Rabbit oral LD50：160 mg/kg;
Mutagenic:Aspergillus nidulansSex chromosome nondisjunction loss and testing system ：1 gm/L;

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 58.68

2. Molar Volume (m³/mol):155.3

3. isotonic specific volume (90.2K):429.6

4. Surface Tension (dyne/cm):58.4

5. Polarizability（10^-24cm³):23.26

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 33.1

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 214

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

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

None

Storage method

None

Synthesis method

None

Purpose

None

extended-reading:https://www.cyclohexylamine.net/balance-catalyst-ne210-dabco-amine-catalyst/
extended-reading:https://www.cyclohexylamine.net/non-emission-amine-catalyst-non-emission-delayed-amine-catalyst/
extended-reading:https://www.morpholine.org/dabco-33-s-microporous-catalyst/
extended-reading:https://www.bdmaee.net/toyocat-dt-strong-foaming-catalyst-pentamethyldiethylenetriamine-tosoh/
extended-reading:https://www.bdmaee.net/dimethyltin-dioctanoate/
extended-reading:https://www.bdmaee.net/low-odor-reaction-type-9727-catalyst-9727-reaction-type-catalyst-9727/
extended-reading:https://www.cyclohexylamine.net/spraying-catalyst-composite-amine-catalyst/
extended-reading:https://www.cyclohexylamine.net/dimethyltin-oxide-cas-2273-45-2/
extended-reading:https://www.newtopchem.com/archives/category/products/adhesive-catalyst
extended-reading:https://www.newtopchem.com/archives/1112