1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid

Basic Information

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CAS Number

105400-81-5

Molecular Formula

C11H13NO2

Molecular Weight

191.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

248-251 °C

Boiling Point

386.8 ℃ at 760 mmHg

Refractive Index

1.5220 (estimate)

SMILES

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C1CNC(C2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)

InChIKey

BUAVPRGEIAVFBF-UHFFFAOYSA-N

LogP

1.3481000000000003

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

217

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

HMS3472P06
Oprea1_601518
(1,2,3,4-Tetrahydroisoquinolin-1-yl)acetic acid
SCHEMBL643311
tetrahydroisoquinolylacetic acid
AKOS016038979
(1,2,3,4-tetrahydro-1-isoquinolyl)-acetic acid
J-505288
2-(1,2,3,4-tetrahydro-1-isoquinolinyl)acetic acid
1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYLACETIC ACID
(1,2,3,4-Tetrahydro-1-isoquinolyl)acetic acid
1,2,3,4-tetrahydroisoquinolin-1-ylacetic acid
(1,2,3,4-Tetrahydro-isoquinoline-1-yl)acetic acid
(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid
Oprea1_447749
4H-048
MFCD00215024
AB04869
EN300-00696
NS00015743
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
FT-0642592
CHEMBL1740194
SCHEMBL12312033
105400-81-5
1,2,3,4-Tetrahydroisoquinoline-1-acetic acid
AKOS000121709
AF-399/25030001
DTXSID10369973
CS-0440387
(1,2,3,4-Tetrahydroisoquinoline-1-yl)acetic acid

MDL Number

MFCD00215024

Customs Code

2933499090

FAQ

What is 1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid (CAS: 105400-81-5)?

1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid is a synthetic organic compound with a CAS number of 105400-81-5. It is an acid with a unique structure featuring a tetrahydroisoquinoline ring system and an acetic acid moiety. This compound is characterized by its hydrophobic and acidic properties, making it useful in various applications such as medicinal chemistry and pharmaceutical research.

What are the main uses of 1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid (CAS: 105400-81-5)?

1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid finds applications in pharmaceuticals as a potential lead compound for drug discovery and development. It is also used in research for its unique chemical properties, such as its ability to modulate certain biological pathways. Its utility is limited to specialized applications due to its specific chemical structure and reactivity.

Is 1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid (CAS: 105400-81-5) safe?

1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid is generally safe when handled with appropriate caution. However, exposure to the compound should be minimized, and proper safety measures should be followed during preparation and use. It is advisable to wear protective gloves, goggles, and appropriate clothing. Inhalation and skin contact should be avoided, and any spills should be handled carefully.

How should 1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid (CAS: 105400-81-5) be stored?

1,2,3,4-Tetrahydro-1-isoquinolinylacetic acid should be stored in a dry, cool, and well-ventilated area, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. The storage temperature should be below 25°C, and humidity levels should be controlled to prevent moisture absorption. It is recommended to store the compound in a laboratory environment to ensure proper handling and safety.