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2002-24-6 molecular structure
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4-(2-aminoethyl)benzene-1,2-diol hydrochloride

ChemBase ID: 73064
Molecular Formular: C8H12ClNO2
Molecular Mass: 189.63938
Monoisotopic Mass: 189.05565631
SMILES and InChIs

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

Cite this record

CBID:73064 http://www.chembase.cn/molecule-73064.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
Acid pKa 10.007776  H Acceptors
H Donor LogD (pH = 5.5) -2.2235985 
LogD (pH = 7.4) -1.4458275  Log P 0.02955024 
Molar Refractivity 43.2482 cm3 Polarizability 16.667273 Å3
Polar Surface Area 66.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
alcohol: soluble20 mg/mL expand Show data source
H2O: soluble expand Show data source
Apperance
light tan expand Show data source
Melting Point
~245 °C (dec.) expand Show data source
243-250°C expand Show data source
248-250 °C(lit.) expand Show data source
248-250°C expand Show data source
Storage Condition
-20°C expand Show data source
2-8°C, Store Under Nitrogen expand Show data source
Storage Warning
Light Sensitive & Hygroscopic expand Show data source
RTECS
UX1092000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-50/53 expand Show data source
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
61 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H410 expand Show data source
H315-H319-H335-H303 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P273-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Target
Dopamine receptor expand Show data source
Purity
≥98.5% (AT) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Concentration
60 wt. % in H2O expand Show data source
Grade
puriss. expand Show data source
Salt Data
HCl expand Show data source
hydrochloride expand Show data source
Certificate of Analysis
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
Pharmacopeia Traceability
traceable to BP 468 expand Show data source
traceable to PhEur D2690000 expand Show data source
traceable to USP 1225204 expand Show data source
Linear Formula
(HO)2C6H3CH2CH2NH2·HCl expand Show data source
Empirical Formula (Hill Notation)
C2H7NO · HCl expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02101580 external link
Hydrochloride
Purity: 99%
Crystalline
Precursor of adrenaline.
Selleck Chemicals - S2529 external link
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 external link
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

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Cools R et al. Neuroscientist. 2008 Aug; 14(4)
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PATENTS

PATENTS

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INTERNET

INTERNET

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