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Substance Name: PP 969
RN: 69141-50-0
InChIKey: QYOXAEWIVYMSGJ-CMPLNLGQSA-N

Molecular Weight

  • 267.371
 
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Names and Synonyms

Results Name

  • PP 969

Synonym

  • PP 969

Systematic Name

  • 3-Octanone, 6-hydroxy-2,2,7,7-tetramethyl-5-(1H-1,2,4-triazol-1-yl)-, (5R,6R)-rel-

Registry Numbers

CAS Registry Number

  • 69141-50-0

System Generated Number

  • 0069141500

Structure Descriptors

InChI

1S/C14H25N3O2/c1-13(2,3)11(18)7-10(12(19)14(4,5)6)17-9-15-8-16-17/h8-10,12,19H,7H2,1-6H3/t10-,12+/m0/s1

InChIKey

QYOXAEWIVYMSGJ-CMPLNLGQSA-N

Smiles

n1cncn1[C@H]([C@@H](O)C(C)(C)C)CC(=O)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.95 (none)   EXP
Water Solubility 409 mg/L 25 EST
Vapor Pressure 4.05E-07 mm Hg 25 EST
Henry's Law Constant 1.03E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.28E-11 cm3/molecule-sec 25 EST

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