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Amino acids and derivatives

alpha-Methylhistidine

Also known as Histidine, alpha-methyl-, alpha-methyl-l-histidine, (2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid

CAS 587-20-2Formula C7H11N3O2Molar mass 169.18 g/mol
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alpha-Methylhistidine chemical structure, C7H11N3O2, CAS 587-20-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
587-20-2
Formula
C7H11N3O2
Molar mass
169.18 g/mol
HS code
293329
Category
Amino acids and derivatives

What is alpha-Methylhistidine?

Plain description, key identifiers and synonyms

Alpha-methyl-L-histidine is an alpha-methylhistidine that has L-configuration. It is functionally related to a L-histidine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CAS number
587-20-2 CAS number cross-checkedOther or deprecated CAS: 62075-22-3
Molecular formula
C7H11N3O2
InChIKey
HRRYYCWYCMJNGA-ZETCQYMHSA-N
InChI
InChI=1S/C7H11N3O2/c1-7(8,6(11)12)2-5-3-9-4-10-5/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1
Canonical SMILES
CC(N)(Cc1cnc[nH]1)C(=O)O
Isomeric SMILES
C[C@](CC1=CN=CN1)(C(=O)O)N

Synonyms

  • Histidine, alpha-methyl-
  • alpha-methyl-l-histidine
  • (2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
  • (S)-2-Amino-3-(1H-imidazol-4-yl)-2-methylpropanoic acid
  • 2-Amino-3-(1H-imidazol-4-yl)-2-methylpropanoic acid
  • (2S)-2-Amino-3-(1H-imidazol-4-yl)-2-methylpropanoic acid
  • (S)-2-Amino-3-(1H-imidazol-4-yl)-2-methylpropanoicacid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
169.18 g/molcalc.
Exact mass
169.0851 Dacalc.
LogP (octanol/water)
-0.25calc.
Topological polar surface area
92 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1c[nH]cn1

c1c[nH]cn1

1 ring, 5 atoms, the Imidazole ring system.

14,448 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

alpha-Methylhistidine suppliers

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alpha-Methylhistidine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human urinary metabolite
  • mammalian metabolite
  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code alpha-Methylhistidine is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for alpha-Methylhistidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about alpha-Methylhistidine, based on the data on this page

What is alpha-Methylhistidine?

Alpha-methyl-L-histidine is an alpha-methylhistidine that has L-configuration. It is functionally related to a L-histidine.

What is the CAS number of alpha-Methylhistidine?

The CAS registry number of alpha-Methylhistidine is 587-20-2. Other or deprecated CAS numbers: 62075-22-3.

What is the molecular formula and weight of alpha-Methylhistidine?

The molecular formula of alpha-Methylhistidine is C7H11N3O2 and its molar mass is 169.18 g/mol.

What is alpha-Methylhistidine used for?

Known uses and roles of alpha-Methylhistidine include animal metabolite, eukaryotic metabolite, human metabolite, human urinary metabolite, mammalian metabolite and 1 more.

Is alpha-Methylhistidine hazardous?

No GHS hazard classification for alpha-Methylhistidine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of alpha-Methylhistidine?

alpha-Methylhistidine is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy alpha-Methylhistidine?

Post a free request on CompoundList and suppliers of alpha-Methylhistidine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of alpha-Methylhistidine?

Suppliers quote alpha-Methylhistidine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle alpha-Methylhistidine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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