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Dopamine

Properties, data and information sources.

 

Contents

Names and Identifiers

Name
Dopamine
Formula
C8H11NO2
Molar mass
153.181 (g/mol)
CAS registry number
51-61-6
EC number EINECS
200-110-0
InChI Key
VYFYYTLLBUKUHU-UHFFFAOYSA-N

Systematic name
4-(2-Aminoethyl)benzene-1,2-diol

Other names, synonyms
3-Hydroxytyramine

Abbreviation
DA

 

Chemical formulas

Molecular formula and structural formula of Dopamine:

 

C8H11NO2

Mr = 153.181 g/mol

4-(2-Aminoethyl)benzene-1,2-diol
SMILES: C1=CC(=C(C=C1CCN)O)O

 

Data and Properties

Dopamine crystallizes from water in the form of colorless prisms with a characteristic odor. The chemical is sensitive to air, light (rapid discoloration), and unstable in alkaline media.

solubility:
+ Readily soluble in water (600 g/L at 20 °C), methanol.
- Unsoluble in alcohol, acetone, chloroform, ether.
  partition coefficient logP = -0.98.
melting point
128 °C
decomposition temperature
241 °C
pKa value
pK1a = 8.93

 

Spectroscopic data:

SPLASH (mass spectra)
splash10-00di-1900000000-117a1a7207245f5377e7
splash10-000i-0900000000-0a7d58ac6a4039fe88e3
splash10-000i-0900000000-b6a88ada58ee095efb64
splash10-000i-0900000000-18616fbff564c051d478
splash10-0006-9600000000-7beec665fe9ccab2ae70 u.a.
MoNA Mass Bank of North America (mass spectrum)
VYFYYTLLBUKUHU-UHFFFAOYSA-N
SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
IsrGzLJMb5I
Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0000073

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Dopamine - C8H11NO2 - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
8 Ar = 12.011 u
ΣAr = 96.088 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
 
12C: 62.06349 %
14C: trace
13C: 0.66492 %
62.7284 %H
Hydrogen
11 Ar = 1.008 u
ΣAr = 11.088 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 7.23777 %
2H: 0.00072 %
7.2385 %N
Nitrogen
1ΣAr = 14.007 u
14N: 14.00307 u [99,6205 %]
15N: 15.00011 u [0,3795 %]
 
14N: 9.10938 %
15N: 0.0347 %
9.1441 %O
Oxygen
2 Ar = 15.999 u
ΣAr = 31.998 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 20.83825 %
17O: 0.00801 %
18O: 0.04282 %
20.8890 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 153.181 grams per mole.

The amount of substance in one kilogram of the substance is n = 6.528 mol.

The amount of substance in one gram of the substance is n = 0.007 mol.

Monoisotopic mass: 153.07897859645 Da - related to 12C81H1114N16O2.

 

Dopamine as Active Ingredient

ATC Code:
C01CA04

Dopamine is a monoamine compound with positive inotropic activity, a naturally occurring catecholamine, and a neurotransmitter formed by the decarboxylation of dihydroxyphenylalanine and a precursor of norepinephrine and epinephrine. Dopamine binds to alpha-1 and beta-1 adrenergic receptors. Mediated by myocardial beta-1 adrenergic receptors, dopamine increases heart rate and contractility, thereby enhancing cardiac output. Alpha-1 adrenergic receptor stimulation on vascular smooth muscle leads to vasoconstriction and an increase in systemic vascular resistance. Stimulation of dopaminergic receptors in the renal vascular system leads to dilation of the renal vessels and an increase in the glomerular filtration rate, renal blood flow, sodium excretion, and urine output. Dopamine is also an important neurotransmitter in the extrapyramidal system of the brain and is important for, among other things, motor regulation. See also: dopamine hydrochloride.

For detailed information on the active ingredient, see: DrugBank DB00988, NCI Thesaurus C62025.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Warning

GHS hazard statements (H phrases):


H302
Harmful if swallowed

H400
Very toxic to aquatic life

GHS precautionary statements (P phrases):

P273

LD50 (rat, oral): 2859 mg/kg.


Labeling in the EU: See ECHA Substance Infocard 100.000.101.


Note: The labeling requirement according to the CLP Regulation (EU) does not apply, among other things, to certain substances and mixtures for end users that are in the form of finished products, such as pharmaceuticals, veterinary drugs, cosmetics, certain medical products and medical devices, food or feed, as well as certain Food additives or flavorings. Special legal regulations may need to be adhered to here.

 

External Sources

PubChem:ID 681ChemSpider:ID 661Kegg database DBGET:ID C03758UNII of the FDA (USA):Unique Ingredient Identifier VTD58H1Z2XEPA CompTox Chemicals Dashboard:DTXSID6022420Other CAS RN:50444-17-2; 62-31-7 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

Dopamine as a commercial product from internationally active suppliers and search for analogues see: ZINC000000033882.

The table below lists producers and suppliers of Dopamine as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Dopamine.

 


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Last update: 2026-02-04


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