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673-49-4

673-49-4 Structure

673-49-4 Structure
IdentificationBack Directory
[Name]

N-OMEGA-ACETYLHISTAMINE
[CAS]

673-49-4
[Synonyms]

n-acetylhistamine
N-w-Acetylhistamine
N-OMEGA-ACETYLHISTAMINE
N-omega-Acetylhistamine,98%
N-(2-(imidazol-4-yl)ethyl)acetamide
N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE
N-[2-(3H-Imidazole-4-yl)ethyl]acetamide
[EINECS(EC#)]

211-610-3
[Molecular Formula]

C7H11N3O
[MDL Number]

MFCD00005209
[MOL File]

673-49-4.mol
[Molecular Weight]

153.18
Chemical PropertiesBack Directory
[Appearance]

White to slightly yellow-cream crystalline powder
[Melting point ]

147-149 °C(lit.)
[Boiling point ]

276.1°C (rough estimate)
[density ]

1.1648 (rough estimate)
[refractive index ]

1.5860 (estimate)
[storage temp. ]

0-6°C
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

14.42±0.10(Predicted)
[color ]

White to Off-White
[InChI]

1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
[InChIKey]

XJWPISBUKWZALE-UHFFFAOYSA-N
[SMILES]

CC(=O)NCCc1c[nH]cn1
Hazard InformationBack Directory
[Chemical Properties]

White to slightly yellow-cream crystalline powder
[Definition]

ChEBI: A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function.
[Uses]

Acetylhistamine, is a histamine metabolite, and can be used as a potential biomarker of histidine metabolism for anaphylactoid reactions.
[IC 50]

Human Endogenous Metabolite
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Tetrahydrofuran-->Thionyl chloride-->Sodium carbonate-->Acetic anhydride-->Ammonium hydroxide-->Benzene-->Lithium Aluminum Hydride-->Formaldehyde-->POTASSIUM CYANIDE-->Copper(II) sulfate-->Hydrogen Sulfide-->Picric acid-->D(-)-Fructose
Spectrum DetailBack Directory
[Spectrum Detail]

N-OMEGA-ACETYLHISTAMINE(673-49-4)MS
N-OMEGA-ACETYLHISTAMINE(673-49-4)1HNMR
N-OMEGA-ACETYLHISTAMINE(673-49-4)IR1
N-OMEGA-ACETYLHISTAMINE(673-49-4)IR2
N-OMEGA-ACETYLHISTAMINE(673-49-4)Raman
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