368-16-1
Product Name:
3-METHYL-L-HISTIDINE
Formula:
C7H11N3O2
Synonyms:
π-Methyl-L -histidine;1-Methyl-L -histidine (archaic);3-(1-Methylimidazol-5-yl)-L -alanine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Sigma-Aldrich MSDS] |
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Solubility | 200 mg/mL at 25 °C |
Collision Cross Section | 134.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
Chemical Classes | Other Uses -> Biochemical Research |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 169.18 g/mol |
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XLogP3 | -3.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 169.085126602 g/mol |
Monoisotopic Mass | 169.085126602 g/mol |
Topological Polar Surface Area | 81.1 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 174 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N(pros)-methyl-L-histidine is a L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a N(pros)-methyl-L-histidine zwitterion.