Cas no 335081-04-4 (2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl)

2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl is a stable isotope-labeled derivative of dopamine, where the carbon-13 (13C) label is incorporated at the 1-position of the ethylamine side chain. This compound is primarily used as an internal standard in mass spectrometry and NMR-based metabolic studies, enabling precise quantification and tracing of dopamine and its metabolites in biological systems. The 13C labeling ensures minimal interference with natural isotopic distributions, improving analytical accuracy. Its high chemical purity and stability make it suitable for research in neurochemistry, pharmacology, and tracer kinetics. The hydrochloride salt form enhances solubility in aqueous solutions, facilitating experimental applications.
2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl structure
335081-04-4 structure
Product Name:2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl
CAS No:335081-04-4
MF:C8H12ClNO2
MW:189.639381408691
CID:304846
PubChem ID:65340
Update Time:2025-10-31

2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol,4-(2-aminoethyl-2-13C)-,hydrochloride (9CI)
    • DOPAMINE HYDROCHLORIDE
    • 2-(1H-TETRAZOL-5-YL)-PHENOXY]-ACETIC ACID
    • 2-(3,4-DIHYDROXYPHENYL)ETHYL-1-13C-AMINE HCL
    • 2-ethyl-1-13C-aMine HC
    • 3,4-DIHYDROXYPHENETHYLAMINE,HCL
    • 3,4-DIHYDROXYPHENYL-ETHYLAMINE HYDROCHLORIDE
    • 3-HYDROXYTYRAMINIUM CHLORIDE
    • 4-(2-AMINOETHYL)PYROCATECHOL HYDROCHLORIDE
    • DOPAMINE HCL
    • HYDROXYTYRAMINE HCL
    • LP00586
    • Dopamine hydrochloride in dextrose 5% in plastic container
    • CCG-40211
    • DOPAMINE HYDROCHLORIDE [USAN]
    • Inotropin
    • MFCD00012898
    • Dopamine hydrochloride in dextrose 5%
    • 2-(3,4-dihydroxyphenyl)-ethylamine hydrochloride
    • Tensamin
    • (Dopamine HCl)
    • dopamine hydrogen chloride
    • MLS001074180
    • Dynatra
    • Dopamine hydrochloride (Inotropin)
    • 3-Hydroxytyramine HCl
    • DOPAMINE HYDROCHLORIDE (USP MONOGRAPH)
    • 3,4-dihydroxyphenylethylaminehydrochloride
    • SMR000059081
    • Dopamine hydrochloride and dextrose 5% in plastic container
    • Rascordin
    • DTXSID7020550
    • Cardiosteril
    • FT-0667775
    • NC00545
    • NCGC00261271-01
    • DOPAMINE HYDROCHLORIDE (USP-RS)
    • 4-(2-Aminoethyl)benzene-1,2-diol monohydrochloride
    • Dopamine hydrochloride, European Pharmacopoeia (EP) Reference Standard
    • Abbodop
    • D00633
    • SR-01000075366-1
    • NCGC00093965-04
    • 62-31-7 (HCl); 51-61-6 (free base)
    • DOPAMINE HYDROCHLORIDE [MI]
    • DTXCID50550
    • NSC173182
    • DOPAMINE HYDROCHLORIDE (EP MONOGRAPH)
    • F0001-1648
    • 3-Hydroxytyramine, HCl
    • CAS-62-31-7
    • Dopamine hydrochloride, puriss., >=98.5% (AT)
    • KUC104380C
    • AKOS008056421
    • 4-(2-aminoethyl)benzene-1,2-diol;hydrochloride
    • Tox21_500586
    • NCGC00093965-03
    • DOPAMINE HYDROCHLORIDE [ORANGE BOOK]
    • Dopamine hydrochloride (JP17/USP)
    • DOPAMINE HYDROCHLORIDE [EP MONOGRAPH]
    • EN300-19500
    • 62-31-7
    • HMS1920I18
    • 963AD780-3E96-47B5-9044-7E59F6C84D67
    • DOPAMINE HYDROCHLORIDE [USP MONOGRAPH]
    • BD166234
    • DOPAMINE HYDROCHLORIDE [VANDF]
    • Dopamine hydrochloride (USAN:USP:JAN)
    • DOPAMINE HYDROCHLORIDE [MART.]
    • Z104474032
    • NSC-169105
    • 2-(3,4-DIHYDROXYPHENYL-D3)ETHYLAMINE HCL
    • Actopamin (TN)
    • 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride
    • A0305
    • NSC 169105
    • Revivan
    • Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride
    • NSC756749
    • Dopamine hydrochloride and dextrose 5%
    • DOPAMINI HYDROCHLORIDUM [WHO-IP LATIN]
    • 2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride
    • MLS000069419
    • 3-Hydroxytyramine, Hydrochloride
    • DOPAMINE HYDROCHLORIDE (MART.)
    • KSC-10-159
    • Dopamine hydrochloride, United States Pharmacopeia (USP) Reference Standard
    • HY-B0451A
    • FT-0603260
    • EU-0100586
    • F10519
    • ASL279
    • 7L3E358N9L
    • CTENFNNZBMHDDG-UHFFFAOYSA-N
    • DOPAMINE HYDROCHLORIDE [WHO-DD]
    • ASL-279
    • Dopamine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material
    • 4-(2-aminoethyl)benzene-1,2-diol hydrochloride
    • Dopamine Fresenius
    • intropin
    • AC-12190
    • NSC169105
    • Dopaminergic
    • EINECS 200-527-8
    • DOPAMINE HYDROCHLORIDE [WHO-IP]
    • NS00078923
    • Dopamine HCl salt
    • FT-0695562
    • 3-Hydroxytyramine hydrochloride
    • Dopamini hydrochloridum,(S)
    • 335081-04-4
    • CHEMBL1557
    • Dopastat
    • P 498
    • 1200398-97-5
    • DOPAMINE HCI
    • Intropin [as hydrochloride]
    • Actopamin
    • Opera_ID_218
    • Dopamine hydrochloride, certified reference material, TraceCERT(R)
    • H 8502
    • NSC-756749
    • 4-(2-Aminoethyl)-1,2-benzenediol hydrochloride
    • DOPAMINE HYDROCHLORIDE [JAN]
    • A937196
    • Pharmakon1600-01500263
    • 3,4-dihydoxyphenethylamine hydrochloride
    • Dopamine (hydrochloride)
    • SGCUT00110
    • SCHEMBL40951
    • Dopamine chloride
    • 3,4-Dihydroxyphenethylamine hydrochloride
    • SW199608-2
    • SPECTRUM1500263
    • DOPAMINE HYDROCHLORIDE [USP-RS]
    • 1, 4-(2-aminoethyl)-, hydrochloride
    • Dopamini hydrochloridum
    • Dopamine.HCl
    • Dopamine hydrochloride [USAN:USP:JAN]
    • Intropin (TN)
    • NCGC00093965-02
    • Q27268491
    • s2529
    • Tox21_201018
    • beta-(3,4-Dihydroxyphenyl)ethylamine hydrochloride
    • m-Hydroxytyramine hydrochloride
    • 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (1:1)
    • Dopamine hydrochloride, British Pharmacopoeia (BP) Reference Standard
    • SR-01000075366
    • CHEBI:4698
    • NCGC00093965-01
    • AM20080715
    • SR-01000075366-8
    • DOPAMINE PHENOLIC
    • NCGC00258571-01
    • .beta.-(3,4-Dihydroxyphenyl)ethylamine hydrochloride
    • Hydrochloride, Dopamine
    • to_000060
    • UNII-7L3E358N9L
    • BCP06611
    • KS-5304
    • 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl
    • 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
    • InChI Key： CTENFNNZBMHDDG-UHFFFAOYSA-N
    • SMILES： Cl.OC1=C(C=CC(=C1)CCN)O

Computed Properties

  • Exact Mass: 189.05600
  • Monoisotopic Mass: 189.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 119
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.5A^2

Experimental Properties

  • Color/Form: Gray white crystals
  • Melting Point: 248-250?°C(lit.)
  • Boiling Point: 337.7 °C at 760 mmHg
  • Flash Point: 337.7 °C at 760 mmHg
  • Solubility: alcohol: 20?mg/mL
  • PSA: 66.48000
  • LogP: 2.10130

2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl Security Information

  • WGK Germany：2
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36
  • FLUKA BRAND F CODES：8-10-23
  • RTECS：UX1092000
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • Storage Condition：0-6°C

2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl Pricemore >>

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2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl Related Literature

Additional information on 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl

Introduction to 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl (CAS No. 335081-04-4)

2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl (CAS No. 335081-04-4) is a unique and versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is a labeled derivative of dopamine, a neurotransmitter that plays a crucial role in various physiological processes, including motor control, reward pathways, and cognitive functions. The incorporation of the 13C isotope in the amine group makes it particularly valuable for nuclear magnetic resonance (NMR) spectroscopy and metabolic studies.

The chemical structure of 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl consists of a phenethylamine backbone with two hydroxyl groups at the 3 and 4 positions of the phenyl ring, and a 13C-labeled amine group. This structure is similar to that of dopamine, but the presence of the 13C isotope allows for precise tracking and quantification in biological systems. The hydrochloride salt form ensures solubility and stability, making it suitable for various experimental conditions.

In recent years, the use of labeled compounds like 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl has become increasingly important in understanding the metabolism and pharmacokinetics of neurotransmitters. These compounds are used in both in vitro and in vivo studies to elucidate the mechanisms of action and to identify potential therapeutic targets. For instance, research has shown that labeled dopamine derivatives can help in studying the dopaminergic system's role in neurological disorders such as Parkinson's disease and schizophrenia.

The application of 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl in NMR spectroscopy is particularly noteworthy. NMR is a powerful technique for analyzing complex biological samples due to its non-invasive nature and high resolution. The 13C isotope has a natural abundance of only 1.1%, which makes it an ideal choice for labeling compounds without significantly altering their chemical properties. This allows researchers to track the labeled compound through various metabolic pathways and to study its interactions with other biomolecules.

In addition to NMR spectroscopy, 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl has also been utilized in mass spectrometry (MS) studies. MS provides complementary information to NMR by offering high sensitivity and specificity. The combination of NMR and MS techniques can provide a comprehensive understanding of the metabolic fate of dopamine derivatives, which is crucial for developing new therapeutic strategies.

The stability and solubility of 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl make it suitable for use in cell culture experiments. Researchers can study the uptake and metabolism of this compound by various cell types, including neuronal cells and other relevant models. This information can help in understanding how dopaminergic pathways are affected by different conditions and how they can be modulated for therapeutic benefit.

Clinical applications of labeled dopamine derivatives are also being explored. For example, positron emission tomography (PET) imaging using radiolabeled dopamine analogs can provide insights into the distribution and function of dopaminergic neurons in living subjects. While PET imaging typically uses radioisotopes like carbon-11 or fluorine-18, the use of stable isotopes like 13C can complement these studies by providing additional information on long-term metabolic processes.

In conclusion, 2-(3,4-Dihydroxyphenyl)ethyl-1-13C-amine HCl (CAS No. 335081-04-4) is a valuable tool for researchers studying neurotransmitter metabolism and pharmacokinetics. Its unique chemical structure and stable isotope labeling make it suitable for a wide range of applications, from basic research to clinical studies. As our understanding of neurological disorders continues to evolve, compounds like this will play an increasingly important role in advancing both scientific knowledge and therapeutic approaches.

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