1-methyl-l-histidine

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:332-80-9

mdl number:mfcd00005295

einecs number:206-368-0

rtecs number:none

brn number:9727

pubchem number:24885268

physical property data

1. melting point (ºc): 240

2. boiling point (ºc, normal pressure): 150

toxicological data

2. toxicological data:

acute toxicity: not available.

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 42.69

2. molar volume (cm³/mol): 122.6

3. isotonic specific volume (90.2k ): 334.6

4. surface tension (dyne/cm): 55.4

5. polarizability (10^-24cm³): 16.92

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -3.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 81.1

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 174

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 1

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

1. found in tobacco leaves.

storage method

none

synthesis method

none

purpose

none