4-(2-aminoethyl)benzene-1,2-diol hydrochloride

• ChemBase ID: 73064
• Molecular Formular: C8H12ClNO2
• Molecular Mass: 189.63938
• Monoisotopic Mass: 189.05565631
• SMILES: c1(c(ccc(c1)CCN)O)O.Cl
• Canonical SMILES: NCCc1ccc(c(c1)O)O.Cl
• InChI: InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
• InChIKey: CTENFNNZBMHDDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)benzene-1,2-diol hydrochloride
• IUPAC Traditional name: dopamine hydrochloride
• Synonyms: ASL 279; Cardiosteril; Dopamine Fresenius; Dopamine hydrochloride; Dopamine, 3-Hydroxytyramine hydrochloride; 4-(2-Aminoethyl)-1,2-benzenediol hydrochloride; 2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride; 3,4-DIHYDROXYPHENYL ETHYLAMINE HYDROCHLORIDE; Dopamine hydrochloride; 3,4-Dihydroxyphenethylamine hydrochloride; 3-Hydroxytyramine hydrochloride; 4-(2-aminoethyl)benzene-1,2-diol hydrochloride; Ethanolamine hydrochloride solution; 2-(3,4-二羟基苯基)乙胺 盐酸盐; 3,4-二羟基苯乙胺 盐酸盐; 4-(2-氨乙基)-1,2-苯二醇 盐酸盐; 羟酪胺 盐酸盐; 多巴胺 盐酸盐; 多巴胺盐酸盐; 乙醇胺盐酸盐 溶液

Database IDs

• CAS Number: 2002-24-6; 62-31-7
• EC Number: 200-527-8
• MDL Number: MFCD00012898
• Beilstein Number: 3656720
• Merck Index: 143421
• PubChem SID: 24277897; 162037984
• PubChem CID: 65340

CALCULATED PROPERTIES

• Acid pKa: 10.007776
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.2235985
• LogD (pH = 7.4): -1.4458275
• Log P: 0.02955024
• Molar Refractivity: 43.2482 cm^3
• Polarizability: 16.667273 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: alcohol: soluble20 mg/mL; H2O: soluble
• Apperance: light tan
• Melting Point: ~245 °C (dec.); 243-250°C; 248-250 °C(lit.); 248-250°C

Safety Information

• Storage Condition: -20°C; 2-8°C, Store Under Nitrogen
• Storage Warning: Light Sensitive & Hygroscopic
• RTECS: UX1092000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-50/53; 36/37/38; R:36/37/38
• Safety Statements: 26-37-60; 61; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H410; H315-H319-H335-H303
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P273-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Dopamine receptor

Product Information

• Purity: ≥98.5% (AT); 95+%; 98%; 99%
• Concentration: 60 wt. % in H2O
• Grade: puriss.
• Salt Data: HCl; hydrochloride
• Ignition Residue: ≤0.05%
• Pharmacopeia Traceability: traceable to BP 468; traceable to PhEur D2690000; traceable to USP 1225204
• Linear Formula: (HO)2C6H3CH2CH2NH2·HCl
• Empirical Formula (Hill Notation): C2H7NO · HCl
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 02101580

Hydrochloride
Purity: 99%
Crystalline
Precursor of adrenaline.

Selleck Chemicals - S2529

Biological Activity:
Dopamine hydrochloride (Inotropin) is a catecholamine neurotransmitter present in a wide variety of animals,And a dopamine D1-5 receptors agonist. Dopamine hydrochloride (Inotropin) is the immediate precursor of epinephrine in the body. Exogenously administered, dopamine hydrochloride (Inotropin) produces direct stimulation of beta-1 receptors and variable (dose-dependent) stimulation of alpha receptors (peripheral vasoconstriction). Dopamine hydrochloride (Inotropin) is a sympathomimetic amine vasopressor and is the naturally occurring immediate precursor of norepinephrine. [1][2][3]References on Dopamine HCl (Inotropin)[] Neuroscientist, 2008, 14: 381

Sigma Aldrich - H8502

Biochem/physiol Actions
Neurotransmitter.
Caution
Light sensitive
包装
5, 10, 25, 100 g in poly bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. H8502.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

REFERENCES

• Cools R et al. Neuroscientist. 2008 Aug; 14(4)