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Home> Hot Product Listed 5   > 5-Isoxazolidinone, 4-hydroxy-3-(2-methylpropyl)-, (3S,4R)- (9CI)
538-32-9 structure

5-Isoxazolidinone, 4-hydroxy-3-(2-methylpropyl)-, (3S,4R)- (9CI)

Iupac Name:benzylurea
CAS No.:538-32-9
Molecular Weight:150.1778
Molecular Formula:C20H21N3O2 (isomer)
Names and Identifiers
Synonyms

(3s,4r)-4-hydroxy-3-(2-methylpropyl)-1,2-oxazolidin-5-one (3s,4r)-4-hydroxy-3-isobutylisoxazolidin-5-one AK457501 AKOS027412661

Inchi
InChI=1/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
Canonical Smiles
C1=CC=C(C=C1)CNC(=O)N
Properties
Melting Point
149-151℃
Refractive Index
1.565
Safety and Handling
Safety Statements
S22;S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Chemische Fabrik Berg GmbH 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:150.1778g/mol
  • Molecular Formula:C20H21N3O2
  • XLogP3-AA:0.7
  • Exact Mass:150.079313
  • Monoisotopic Mass:150.079313
  • Complexity:130
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:55.1
  • Heavy Atom Count:11
  • 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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