2-(Piperidin-1-ylmethyl)benzoic acid

Basic Information

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CAS Number

917747-57-0

Molecular Formula

C13H17NO2

Molecular Weight

219.28 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

SMILES

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C1CCN(CC1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H17NO2/c15-13(16)12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)

InChIKey

SETGNIQLYMGVGH-UHFFFAOYSA-N

LogP

2.3707000000000003

Topological Polar Surface Area

40.54 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

236

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(Piperidin-1-ylmethyl)benzoic acid
2-Piperidin-1-ylmethyl-benzoic acid
2-(1-Piperidinylmethyl)-benzoic acid HCl
2-[(Piperidin-1-yl)methyl]benzoic acid
CS-0186451
917747-57-0
AKOS000303398
DTXSID70629762
2-(piperidin-1-ylmethyl)benzoicacid
SB43494
DB-228243
2-((Piperidin-1-yl)methyl)benzoic acid
TS-03144
MFCD08690199
EN300-1197077
SCHEMBL11361974
2-(piperidin-1-ylmethyl)benzoic acid

MDL Number

MFCD08690199

FAQ

What is 2-(Piperidin-1-ylmethyl)benzoic acid (CAS: 917747-57-0)?

2-(Piperidin-1-ylmethyl)benzoic acid is an organic compound with the CAS number 917747-57-0. It is a derivative of benzoic acid with a piperidin-1-ylmethyl group attached to the aromatic ring. This compound is used in pharmaceuticals and research due to its unique structural properties.

What are the main uses of 2-(Piperidin-1-ylmethyl)benzoic acid (CAS: 917747-57-0)?

2-(Piperidin-1-ylmethyl)benzoic acid is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in research as a precursor or structural component for various chemical reactions and studies.

Is 2-(Piperidin-1-ylmethyl)benzoic acid (CAS: 917747-57-0) safe?

2-(Piperidin-1-ylmethyl)benzoic acid is considered safe for laboratory use when handled with appropriate precautions. However, it is important to follow safety guidelines, such as proper ventilation and the use of personal protective equipment, to minimize any potential exposure risks.

How should 2-(Piperidin-1-ylmethyl)benzoic acid (CAS: 917747-57-0) be stored?

2-(Piperidin-1-ylmethyl)benzoic acid should be stored in a tightly closed container in a cool, dry place away from direct sunlight. It should be kept at a temperature below 25°C and protected from moisture and humidity to maintain its stability and purity.