dicarbamate 2-methyl-2-(1-methylpropyl)-1,3-propanediol dicarbamate

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:64-55-1

mdl number:none

einecs number:200-587-5

rtecs number:none

brn number:none

pubchem id:none

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): unsure

5. boiling point (ºc,normal pressure): uncertain

6. boiling point (ºc, 5.2kpa): 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,25ºc): unsure

12. saturated vapor pressure (kpa,60ºcexplosion upper limit (%,v/v ): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility:not sure

toxicological data

acute toxicity: rat oral ld50: 1160 mg/kg; rat intraperitonealld50: 410 mg/kg; mouse oral meridian ld50: 550 mg/kg; mouse abdominal cavity ld50: 460 mg /kg;
-us; mso-fareast-language: zh-cn; mso-bidi-language: ar-sa”>wild bird oral channelld50：100 mg/kg;

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 58.92

2. molar volume (m³/mol):208.3

3. isotonic specific volume (90.2k):530.0

4. surface tension (dyne/cm):41.8

5. polarizability（10^-24cm³):23.35

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 8

5. number of tautomers: 3

6. topological molecule polar surface area 105

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 237

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

: left; text-indent: -54.75pt; margin: 0cm 0cm 0pt 72.75pt; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom -alt: auto” class=msonormal align=left>2. molar volume (m³/mol):208.3

3. isotonic specific volume (90.2k):530.0

4. surface tension (dyne/cm):41.8

5. polarizability（10^-24cm³):23.35

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 8

5. number of tautomers: 3

6. topological molecule polar surface area 105

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 237

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet