1-methyl-l-histidine
structural formula
| business number | 049e |
|---|---|
| molecular formula | c7h11n3o2 |
| molecular weight | 169.18 |
| label |
4-methyl-5(bata-hydroxyethyl)thiazole, l-1-methylhistidine, l-1-methylhistidine, amino acid drugs, intermediates, biochemical reagents |
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
