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Substance Name: 1-Aminopyrene
RN: 1606-67-3
UNII: LUW9EO1681
InChIKey: YZVWKHVRBDQPMQ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H11-N

Molecular Weight

  • 217.27
 
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Names and Synonyms

Name of Substance

  • 1-Aminopyrene

Synonyms

  • 1-Aminopyrene
  • 1-Pyrenamine
  • 3-Aminopyrene
  • 4-12-00-03464 (Beilstein Handbook Reference)
  • alpha-Aminopyrene
  • BRN 1875737
  • CCRIS 760
  • EINECS 216-521-3
  • NSC 11436
  • Pyrene, amino-
  • UNII-LUW9EO1681

Systematic Names

  • 1-Aminopyrene
  • 1-Pyrenamine
  • Pyren-1-ylamine

Registry Numbers

CAS Registry Number

  • 1606-67-3

FDA UNII

  • LUW9EO1681

Other Registry Number

  • 1087757-03-6

System Generated Number

  • 0001606673

Structure Descriptors

InChI

1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2

InChIKey

YZVWKHVRBDQPMQ-UHFFFAOYSA-N

Smiles

c12c3c4ccc1cccc2ccc3ccc4N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 376, 1962.
rabbit LD50 skin > 1mL/kg (1mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 1070mg/kg (1070mg/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 115-117 deg C   EXP
log P (octanol-water) 4.31 (none)   EXP
Water Solubility 0.576 mg/L 25 EST
Vapor Pressure 1.59E-07 mm Hg 25 EST
Henry's Law Constant 2.93E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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