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Substance Name: Gramine
RN: 87-52-5
UNII: FGQ8A78L14
InChIKey: OCDGBSUVYYVKQZ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C11-H14-N2

Molecular Weight

  • 174.2456
 
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Names and Synonyms

Name of Substance

  • Gramine

Synonyms

  • 3-(Dimethylaminomethyl)indole
  • AI3-52146
  • beta-Dimethylaminomethylindole
  • Donaxin
  • Donaxine
  • EINECS 201-749-8
  • Gramin
  • Gramine
  • NSC 16892
  • UNII-FGQ8A78L14

Systematic Names

  • 1H-Indole-3-methanamine, N,N-dimethyl-
  • 3-(Dimethylaminomethyl)indole
  • Indol-3-ylmethyldimethylamine
  • Indole, 3-((dimethylamino)methyl)-

Registry Numbers

CAS Registry Number

  • 87-52-5

FDA UNII

  • FGQ8A78L14

System Generated Number

  • 0000087525

Structure Descriptors

InChI

1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3

InChIKey

OCDGBSUVYYVKQZ-UHFFFAOYSA-N

Smiles

CN(C)Cc1c[nH]c2c1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 122mg/kg (122mg/kg)   Psychopharmacologia Vol. 16, Pg. 385, 1970.
mouse LD50 intravenous 46mg/kg (46mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 130, 1952.
rat LDLo intraperitoneal 250mg/kg (250mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 11, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138.5 deg C   EXP
log P (octanol-water) 1.450 (none)   EST
Atmospheric OH Rate Constant 2.77E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.