N,N’-diisopropylcarbodiimide
Structural formula
| Business number | 079Q |
|---|---|
| Molecular formula | C7H14N2 |
| Molecular weight | 126.20 |
| label |
N,N’-diisopropylcarbodiimide, DIC, (CH3)2CHN=C=NCH(CH3)2, For peptide synthesis, Dehydration condensation agent |
Numbering system
CAS number:693-13-0
MDL number:MFCD00065689
EINECS number:211-743-7
RTECS number:FF2175000
BRN number:878281
PubChem number:24893388
Physical property data
1. Characteristics: colorless liquid.
2. Density (g/mL,25/4℃): 0.815
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 145-148
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.433
8. Flash Point ( ºC): 33
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): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined .
Toxicological data
None yet
Ecological data
If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.
Molecular structure data
1. Molar refractive index: 40.16 2. Molar volume（m3/ mol）：150.8 3. isotonic ratio（90.2K）：334.0 4. Surface Tension（dyne/cm）：24.0 5. Dielectric constant: 6. Dipole moment（10 -24cm3)： 7. Polarizability:15.92
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 24.7
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 101
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
Keep away from oxides, acids, moisture.
Storage method
Store in an airtight container and place Store in a cool, dry place. Stored The place must be locked and the keys must be given to the technical experts and their assistants for safekeeping. Storage must be away from oxidizing agents. Keep away from water and never store with acidic substances. Avoid contact with moisture and water.
Synthesis method
None yet
Purpose
Mainly used as a dehydrating agent for amikacin, glutathione and other drugs, and can also be used for the synthesis of acid anhydrides, aldehydes, ketones, and isocyanates.