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Substance Name: Hedonal
RN: 541-95-7
UNII: 1T1KN15LF8
InChIKey: HZMVPSHLMIQQNX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H13-N-O2

Molecular Weight

  • 131.174
 
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Names and Synonyms

Name of Substance

  • Hedonal

Synonyms

  • 1-Methylbutyl carbamate
  • 2-Pentanol, carbamate
  • 3-03-00-00057 (Beilstein Handbook Reference)
  • AI3-51975
  • BRN 1751719
  • Carbamic acid, 1-methylbutyl ester
  • Hedonal
  • Hedonal (drug)
  • Hedonal (pharmaceutical)
  • Methylpropylcarbinol carbamate
  • NSC 27158
  • UNII-1T1KN15LF8

Systematic Names

  • 2-Pentanol, carbamate
  • Carbamic acid, 1-methylbutyl ester

Registry Numbers

CAS Registry Number

  • 541-95-7

FDA UNII

  • 1T1KN15LF8

System Generated Number

  • 0000541957

Structure Descriptors

InChI

1S/C6H13NO2/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)

InChIKey

HZMVPSHLMIQQNX-UHFFFAOYSA-N

Smiles

O([C@@H](CCC)C)C(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 343mg/kg (343mg/kg)   Toxicology and Applied Pharmacology. Vol. 1, Pg. 150, 1959.
mouse LDLo oral 1gm/kg (1000mg/kg)   "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rat LD50 oral 421mg/kg (421mg/kg)   Toxicology and Applied Pharmacology. Vol. 1, Pg. 150, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.380 (none)   EST
Water Solubility 7800 mg/L 34 EXP
Atmospheric OH Rate Constant 1.71E-11 cm3/molecule-sec 25 EST

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