• Molecular NameAmyl Nitrite
  • Synonym3-Methylbutanol nitrite; 3-Methylbutyl nitrite; Amilnitrit; Amilnitrite; Amyl nitrit; Amyl nitrite I; Amyl nitrosum; IPN; Isoamyl nitrite; Isopentyl nitrite; Nitramyl; Nitrous acid, 3-methylbutyl ester; Nitrous acid, isopentyl ester; Pentanoli nitris; Pentyl nitrite
  • Weight117.148
  • Drugbank_IDDB01612
  • ACS_NO8017-89-8
  • Show 3D model
  • LogP (experiment)2.8
  • LogP (predicted, AB/LogP v2.0)1.32
  • pkaN/A
  • LogD (pH=7, predicted)1.32
  • Solubility (experiment)Insoluble
  • LogS (predicted, ACD/Labs)(ph=7)-1.32
  • LogSw (predicted, AB/LogsW2.0)23.78
  • Sw (mg/ml) (predicted, ACD/Labs)5.55
  • No.of HBond Donors0
  • No.of HBond Acceptors3
  • No.of Rotatable Bonds4
  • TPSA38.66
  • StatusFDA approved
  • AdministrationN/A
  • PharmacologyIn common with other alkyl nitrites, is a potent vasodilator, i.e., it expands blood vessels, resulting in lowering of the blood pressure.
  • Absorption_valueN/A
  • Absorption (description)Absorbed from the mucous membranes after inhalation but rapidly inactivated by hydrolysis. Inactive after ingestion owing to hydrolysis in the gastro-intestinal tract.
  • Caco_2N/A
  • BioavailabilityN/A
  • Protein bindingN/A
  • Volume of distribution (VD)N/A
  • Blood/Plasma Partitioning ratio (D_blood)N/A
  • MetabollsmN/A
  • Half lifeN/A
  • ExcretionN/A
  • Urinary ExcretionN/A
  • CleranceN/A
  • ToxicityRecovery has occurred after the ingestion of 12 mL.
  • LD50 (rat)N/A
  • LD50 (mouse)N/A