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Substance Name: n-Amyl nitrite
RN: 463-04-7
UNII: H2HUX79FYK
InChIKey: CSDTZUBPSYWZDX-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H11-N-O2

Molecular Weight

  • 117.147
 
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Names and Synonyms

Results Name

  • n-Amyl nitrite

Name of Substance

  • Pentyl nitrite

Synonyms

  • 4-01-00-01644 (Beilstein Handbook Reference)
  • AI3-25184
  • Amyl nitrite
  • BRN 1701241
  • CCRIS 763
  • EINECS 207-332-7
  • n-Amyl nitrite
  • Nitramyl
  • Pentyl alcohol, nitrite
  • Pentyl nitrite
  • UNII-H2HUX79FYK

Systematic Names

  • Amyl nitrite
  • Nitrous acid, pentyl ester
  • Pentyl nitrite

Registry Numbers

CAS Registry Number

  • 463-04-7

FDA UNII

  • H2HUX79FYK

System Generated Number

  • 0000463047

Structure Descriptors

InChI

1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3

InChIKey

CSDTZUBPSYWZDX-UHFFFAOYSA-N

Smiles

C(CON=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 30gm/kg (30000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933Vol. -, Pg. -, 1933.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 104.5 deg C   EXP
log P (octanol-water) 2.850 (none)   EST
Water Solubility 381 mg/L 25 EST
Vapor Pressure 3.97 mm Hg 25 EXP
Henry's Law Constant 2.04E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.48E-12 cm3/molecule-sec 25 EST

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