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Substance Name: Bitertanol, (R,S)-(+/-)-
RN: 70585-36-3
UNII: E17H8D2V0L
InChIKey: VGPIBGGRCVEHQZ-OALUTQOASA-N

Molecular Formula

  • C20-H23-N3-O2

Molecular Weight

  • 337.4207
 
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Names and Synonyms

Name of Substance

  • Bitertanol, (R,S)-(+/-)-

Synonyms

  • 1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-, (alphaR,betaS)-rel-
  • Bitertanol, (R,S)-(+/-)-
  • UNII-E17H8D2V0L

Registry Numbers

CAS Registry Number

  • 70585-36-3

FDA UNII

  • E17H8D2V0L

System Generated Number

  • 0070585363

Structure Descriptors

InChI

1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3/t18-,19-/m0/s1

InChIKey

VGPIBGGRCVEHQZ-OALUTQOASA-N

Smiles

CC(C)(C)[C@H]([C@@H](n1cncn1)Oc2ccc(cc2)c3ccccc3)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138.6 deg C   EXP
Water Solubility 2.7 mg/L 20 EXP
Vapor Pressure 1.65E-12 mm Hg 20 EXP
Henry's Law Constant 2.71E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.43E-11 cm3/molecule-sec 25 EST

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