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Substance Name: Pyrrobutamine [BAN]
RN: 91-82-7
UNII: VE6KP18S8X
InChIKey: WDYYVNNRTDZKAZ-UHFFFAOYSA-N

Molecular Formula

  • C20-H22-Cl-N

Molecular Weight

  • 311.8538
 
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Names and Synonyms

Results Name

  • Pyrrobutamine [BAN]

Name of Substance

  • Pyrrobutamine
  • Pyrrobutamine [BAN]

Synonyms

  • EINECS 202-101-7
  • Pyrrobutamine
  • UNII-VE6KP18S8X

Systematic Names

  • 1-(4-(4-Chlorophenyl)-3-phenylbut-2-enyl)pyrrolidine
  • Pyrrolidine, 1-(4-(4-chlorophenyl)-3-phenyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 91-82-7

FDA UNII

  • VE6KP18S8X

Related Registry Number

  • 135-31-9 (phosphate[1:2] salt)

System Generated Number

  • 0000091827

Structure Descriptors

InChI

1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2

InChIKey

WDYYVNNRTDZKAZ-UHFFFAOYSA-N

Smiles

Clc1ccc(CC(=CCN2CCCC2)c3ccccc3)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 48.5 deg C   EXP
log P (octanol-water) 6.280 (none)   EST
Atmospheric OH Rate Constant 1.82E-10 cm3/molecule-sec 25 EST

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