3-Indolepropionic acid

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Names

[ CAS No. ]:
830-96-6

[ Name ]:
3-Indolepropionic acid

[Synonym ]:
3-Indolepropionic acid
MFCD00005660
1H-Indole-3-propanoic acid
3-(1H-Indol-3-yl)propanoic acid
b-(3-Indolyl)propionic acid
Indole-3-propionic acid
EINECS 212-600-1
3-(1H-Indol-3-yl)propionic acid
IPA

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
417.6±20.0 °C at 760 mmHg

[ Melting Point ]:
134-135 °C(lit.)

[ Molecular Formula ]:
C11H11NO2

[ Molecular Weight ]:
189.210

[ Flash Point ]:
206.4±21.8 °C

[ Exact Mass ]:
189.078979

[ PSA ]:
53.09000

[ LogP ]:
1.76

[ Vapour density ]:
2.1 (vs air)

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.667

[ Storage condition ]:
−20°C

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NM1329000
CHEMICAL NAME :
1H-Indole-3-propionic acid
CAS REGISTRY NUMBER :
830-96-6
BEILSTEIN REFERENCE NO. :
0147733
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H11-N-O2
MOLECULAR WEIGHT :
189.23
WISWESSER LINE NOTATION :
T56 BMJ D2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 34,138,1936

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S7-S16-S24/25-S26-S36/37-S37/39-S22

[ RIDADR ]:
UN 1987 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
NT8050000

[ HS Code ]:
29339990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Indole
  • Acrylic acid
  • diethyl 2-(1H-indol-3-ylmethyl)propanedioate
  • Propanedioic acid,2-(1H-indol-3-ylmethyl)-
  • 4,6,6-TRIMETHYL-6H-[1,3]THIAZIN-2-YLAMINE
  • indobinine
  • benzyl 3-indole propionate
  • 5-Bromoindole
  • 1H-indol-3-ylmethyl-trimethyl-azanium

DownStream

  • (S)-2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(1H-INDOL-3-YL)-PROPIONIC ACID
  • 3-Indolepropanol
  • 3-(1-Benzyl-1H-indol-3-yl)-propionic acid
  • 1H-Indole-3-propanoicacid, hydrazide
  • 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanoic acid
  • 1,3-Dicyclohexylurea
  • 1-{[3-(1H-Indol-3-yl)propanoyl]oxy}-2,5-pyrrolidinedione
  • 1H-Carbazol-1-one,2,3,4,9-tetrahydro-
  • (1H-Indol-3-yl)-1-propanamine
  • IPAM

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • 3-indolepropionic acid hydrazide
  • D-α-Amino-3-indolepropionic acid
  • DL-a-Amino-3-indolepropionic Acid
  • 3-indolepropionic acid methyl ester
  • 3-INDOLEPROPIONIC ACID,2,5-DIMETHYL
  • L-|A-Amino-3-indolepropionic Acid-d5
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
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