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4-Methylhistamine hydrochloride

CAT: 0013-GTR19169223-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169223-01Size:1 mg
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Description
4-Methylhistamine hydrochloride is a research compound that acts as an inhibitor of copper-dependent enzymes like tyrosinase and dopamine beta-hydroxylase. It is used in biochemical studies to investigate mechanisms of pigmentation, catecholamine synthesis, and the modulation of cell cycle and apoptosis-related gene expression in vitro.
CAS Number
84103-51-5
Product Name Alternative
4-Methylhistamine Hydrochloride, 2 (5methyl1Himidazol4yl) ethan1amine hydrochloride, 2 (5 methyl 1H imidazol 4 yl) ethan 1 amine hydrochloride
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
95.00% (May vary between batches)
Solubility
DMSO:55 mg/mL (340.28 mM)
Smiles
Cl.CC1=C (CCN) NC=N1
Molecular Formula
C6H12ClN3
Molecular Weight
161.633
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methylhistamine hydrochloride
CAS Number84103-51-5
PubChem CID12456195
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
Molecular FormulaC6H12ClN3
Molecular Weight161.63
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity84
SMILES
CC1=C(N=CN1)CCN.Cl
InChI
InChI=1S/C6H11N3.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3,7H2,1H3,(H,8,9);1H
InChIKey
IRQCBSLSHHBBIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylhistamine hydrochloride
CAS: 84103-51-5
CID: 12456195
Formula: C6H12ClN3
MW: 161.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.63
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass161.0719751
Monoisotopic Mass161.0719751
Topological Polar Surface Area54.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity84.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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