3-(1H-Indol-3-yl)propanoic acid | CAS No. 830-96-6

3-(1H-Indol-3-yl)propanoic acid

Basic Information

CAS Number

830-96-6

Molecular Formula

C11H11NO2

Molecular Weight

189.21 g/mol

AD

Basic Physical Properties

Melting Point

134-135 °C

Boiling Point

417.6℃ at 760 mmHg

Density

0.960 g/mL at 20 °C

Flash Point

53 °F

Solubility

ethanol: soluble50mg/mL, clear, yellow to orange

Refractive Index

n20/D 1.377(lit.)

Vapor Pressure

33 mm Hg ( 20 °C)

C1=CC=C2C(=C1)C(=CN2)CCC(=O)O

InChI

InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)

InChIKey

GOLXRNDWAUTYKT-UHFFFAOYSA-N

LogP

2.1851000000000003

Topological Polar Surface Area

53.089999999999996 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

217

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 3-(1H-Indol-3-yl)propanoic acid
  • DB02758
  • JF49U1Q7KN
  • beta-Indole-3-propionic acid
  • 3-(3-indolyl)-propionic acid
  • CS-W015945
  • NCGC00340705-01
  • 3-(1H-Indol-3-yl)propionate
  • SY015400
  • Trihy(droxymethyl)aminomethane
  • NSC-3252
  • .beta.-Indolepropionic acid
  • HMS548G11
  • BDBM31879
  • A15833
  • 3-(3-Indolyl)propionate
  • AKOS000120911
  • 3-(1H-Indol-3-yl)propionic acid
  • Indole-3-propionic acid
  • 3-(3-Indole)propionic acid
  • DivK1c_001183
  • NSC-47831
  • Q21098993
  • Indole-3-propionic
  • SCHEMBL195405
  • 3-(Indol-3-yl)propionic acid
  • FS-3158
  • AM20060737
  • beta-Indolylpropionate
  • 3-Indolepropionate
  • .beta.-(3-Indolyl)propionic acid

MDL Number

MFCD00005660

Customs Code

29339990

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