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