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Substance Name: Isoamyl nitrate
RN: 543-87-3
UNII: 7ARR7RA61E
InChIKey: NTHGIYFSMNNHSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H11-N-O3

Molecular Weight

  • 133.146
 
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Names and Synonyms

Name of Substance

  • Isoamyl nitrate

Synonyms

  • 3-Methyl-1-butanol nitrate
  • 3-Methylbutyl nitrate
  • 4-01-00-01683 (Beilstein Handbook Reference)
  • BRN 1702824
  • EINECS 208-852-7
  • Iso-amyl nitrate
  • Isoamyl nitrate
  • Isopentyl nitrate
  • Nitrito d'amile
  • Nitrito d'amile [Italian]
  • UNII-7ARR7RA61E

Systematic Names

  • 1-Butanol, 3-methyl-, 1-nitrate
  • 1-Butanol, 3-methyl-, nitrate
  • Isopentyl alcohol, nitrate
  • Isopentyl nitrate

Registry Numbers

CAS Registry Number

  • 543-87-3

FDA UNII

  • 7ARR7RA61E

System Generated Number

  • 0000543873

Structure Descriptors

InChI

1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3

InChIKey

NTHGIYFSMNNHSC-UHFFFAOYSA-N

Smiles

C(CCO[N+]([O-])=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 11, Pg. 855, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
Boiling Point 148 deg C   EXP
log P (octanol-water) 2.84 (none)   EXP
Water Solubility 440 mg/L 25 EXP
Vapor Pressure 5.440 mm Hg 25 EST
Henry's Law Constant 0.0022 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.36E-12 cm3/molecule-sec 25 EST

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