Methyl L-histidinate dihydrochloride

Basic Information

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CAS Number

7389-87-9

Molecular Formula

C7H13Cl2N3O2

Molecular Weight

242.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

207 °C (dec.)

Boiling Point

368.2ºC at 760 mmHg

Water Solubility

Soluble in dimethyl sulfoxide, methanol and water.

Flash Point

176.5ºC

Solubility

100g/l

Refractive Index

10 ° (C=2, H2O)

Specific Rotation

9 º (c=2 in H2O)

SMILES

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Cl.Cl.COC(=O)[C@@H](N)Cc1c[nH]cn1

InChI

InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1

InChIKey

DWAYENIPKPKKMV-ILKKLZGPSA-N

LogP

0.2960999999999999

Topological Polar Surface Area

81.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

163

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Hygroscopic

Synonyms & References

English

L(+)-Histidine methyl ester dihydrochloride
L-Histidine methyl ester dihydrochloride
H-His-OMe . 2 HCl
H-His-OMe*2HCl
Hisoome.2hcl
His-OMe.2HCl
Methyl L-histidinate dihydrochloride
(S)-Methyl 2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride
H-His-OMe · 2 HCl
H-HIS-OME•2HCL
L-Histidine methyl ester diHCl
Methyl (2S)-2-amino-3-(1H-imidazol-4-yl)-propanoate dihydrochloride
H-His-OMe dihydrochloride
H-His-OMe,2HCl
H-His-OMe.2HCI
Histidine methyl ester 2HCI
HISTIDINE-OME 2 HCL
H-L-HIS-OME 2HCL
H-L-His-OMe dihydrochloride
L-Histidine methyl e
L-Histidine Methyl Ester 2HCl
L-histidine methyl ester dihydrochloride salt
H-His-OMe·2HCl
H-His-OMe.2HCl
L-Histidine, methyl ester, dihydrochloride
L-(+)-Histidine Methyl Ester Dihydrochloride
(S)-METHYL 2-AMINO-3-(1H-IMIDAZOL-5-YL)PROPANOATE 2HCL
methyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride
Histidine Methyl Ester Dihydrochloride
C7H11N3O2.2HCl
methy

MDL Number

MFCD00012701

Customs Code

2933290090

FAQ

What is Methyl L-histidinate dihydrochloride (CAS: 7389-87-9)?

Methyl L-histidinate dihydrochloride is a histidine derivative with the chemical formula C7H12N3O2·2HCl. It is a white crystalline solid, commonly used in pharmaceutical and research applications. Its structure includes a methyl group attached to the histidine amino acid, forming a hydrochloride salt, which enhances solubility in aqueous solutions.

What are the main uses of Methyl L-histidinate dihydrochloride (CAS: 7389-87-9)?

This compound is primarily used in pharmaceuticals as a precursor for drug development, particularly in antihistamine and neurotransmitter-related research. It also serves as a reagent in industrial processes and is studied for its potential applications in food additives and biochemical experiments. Its unique chemical structure makes it valuable for exploring histidine analogs in various scientific fields.

Is Methyl L-histidinate dihydrochloride (CAS: 7389-87-9) safe?

Methyl L-histidinate dihydrochloride is generally considered safe when handled properly, but it may cause irritation to the skin, eyes, or respiratory system. Safety precautions include wearing gloves, goggles, and a lab coat, and ensuring adequate ventilation. It adheres to standard chemical safety guidelines and is non-toxic in typical handling scenarios, though specific safety data may vary depending on application.

How should Methyl L-histidinate dihydrochloride (CAS: 7389-87-9) be stored?

Store Methyl L-histidinate dihydrochloride in a cool, dry place (ideally 20-25°C), away from moisture and light. Use airtight containers to prevent degradation. Avoid exposure to high humidity or temperature fluctuations to maintain stability. Proper storage ensures its chemical integrity and prolongs shelf life, as recommended by safety and quality standards.