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Home> Hot Product Listed 1   > 1-(3-(2-AMINOPHENYLAMINO)PROPYL)PYRROLIDIN-2-ONE
1020-00-4 structure

1-(3-(2-AMINOPHENYLAMINO)PROPYL)PYRROLIDIN-2-ONE

Iupac Name:2-(4-cyclohexylphenoxy)ethanol
CAS No.:1020-00-4
Molecular Weight:220.30700
Molecular Formula:C5H8N2O2 (isomer)
Names and Identifiers
Synonyms

1-[3-(2-aminoanilino)propyl]pyrrolidin-2-one DTXSID00592910

Inchi
InChI=1S/C14H20O2/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2
InChkey
CPWZXPYBVCANNT-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)C2=CC=C(C=C2)OCCO
Properties
Vapour
7E-06mmHg at 25°C
Refractive Index
1.535
HS Code
2909499000
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:220.30700g/mol
  • Molecular Formula:C5H8N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.9
  • Exact Mass:220.146
  • Monoisotopic Mass:220.146
  • Complexity:179
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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