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Substance Name: 6-Hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran
RN: 116005-04-0
InChIKey: COYBCQFIVNQGKW-UHFFFAOYSA-N

Molecular Formula

  • C15-H23-N-O2

Molecular Weight

  • 249.352
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran

Synonyms

  • 3-(Dipropylamino)-3,4-dihydro-2H-1-benzopyran-6-ol
  • 6-Hddpb
  • Dipropyl-6-hydroxy-3-chromanamine
  • DP-6OH-3CA

Systematic Name

  • 2H-1-Benzopyran-6-ol, 3-(dipropylamino)-3,4-dihydro-

Registry Numbers

CAS Registry Number

  • 116005-04-0

Related Registry Number

  • 112460-73-8 (hydrobromide)

System Generated Number

  • 0116005040

Structure Descriptors

InChI

1S/C15H23NO2/c1-3-7-16(8-4-2)13-9-12-10-14(17)5-6-15(12)18-11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3

InChIKey

COYBCQFIVNQGKW-UHFFFAOYSA-N

Smiles

C1Oc2ccc(O)cc2C[C@@H]1N(CCC)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.19 (none)   EXP
Water Solubility 1740 mg/L 25 EST
Vapor Pressure 2.83E-06 mm Hg 25 EST
Henry's Law Constant 3.30E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.48E-10 cm3/molecule-sec 25 EST

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