1-Benzyl-1H-indole-3-carboxylic acid

Basic Information

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CAS Number

27018-76-4

Molecular Formula

C16H13NO2

Molecular Weight

251.29 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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C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)

InChIKey

LVYDDRHDOKXFMW-UHFFFAOYSA-N

LogP

3.387800000000002

Topological Polar Surface Area

42.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

325

Synonyms & References

English

Cambridge id 5791025
1H-Indole-3-carboxylic acid, 1-(phenylmethyl)-
5-22-03-00037 (Beilstein Handbook Reference)
Oprea1_193229
1-benzylindole-3-carboxylate
N-benzylindole-3-carboxylic acid
9T-1504
FT-0638659
CHEMBL1775161
1-benzylindol-3-carboxylic acid
BRN 0404957
EN300-18367
INDOLE-3-CARBOXYLIC ACID, 1-BENZYL-
1-Benzylindole-3-carboxylic acid
Z57912649
CS-W014620
AKOS000263090
A818840
27018-76-4
SCHEMBL1606606
BIM-0033291.P001
1-Benzyl-1H-indole-3-carboxylic acid
DTXSID60181506
1-Benzyl-1H-indole-3-carboxylicacid
MFCD00057094
CBMicro_033327
B-1200
HMS1773G10
1-(phenylmethyl)-1H-indole-3-carboxylic acid
1-benzyl-indole-3-carboxylic acid
INDOLE-3-CARBOXYLIC ACID,1-BENZYL

MDL Number

MFCD00057094

Customs Code

2933990090

FAQ

What is 1-Benzyl-1H-indole-3-carboxylic acid (CAS: 27018-76-4)?

1-Benzyl-1H-indole-3-carboxylic acid is a complex organic compound with a benzyl substituent and an indole ring structure. It has a chemical formula of C14H12N2O2 and is often used in the pharmaceutical and chemical synthesis industries due to its structural features.

What are the main uses of 1-Benzyl-1H-indole-3-carboxylic acid (CAS: 27018-76-4)?

1-Benzyl-1H-indole-3-carboxylic acid is primarily used in pharmaceutical research for developing new drugs, as well as in the synthesis of other organic compounds. It also finds use in the production of certain dyes and pigments.

Is 1-Benzyl-1H-indole-3-carboxylic acid (CAS: 27018-76-4) safe?

1-Benzyl-1H-indole-3-carboxylic acid is generally considered safe when handled with proper precautions. Users should avoid direct contact with skin and eyes, and wear appropriate protective gear. Ensure proper ventilation and store in a cool, dry place away from direct sunlight.

How should 1-Benzyl-1H-indole-3-carboxylic acid (CAS: 27018-76-4) be stored?

1-Benzyl-1H-indole-3-carboxylic acid should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. Maintain a temperature below 25°C and avoid exposure to moisture and humidity to prevent degradation.