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Home> Hot Product Listed P   > Pyrrolidine, 4-methyl-2-[4-(trifluoromethyl)phenyl]- (9CI)
133-42-6 structure

Pyrrolidine, 4-methyl-2-[4-(trifluoromethyl)phenyl]- (9CI)

CAS No.:133-42-6
Molecular Weight:196.15528
Molecular Formula:C12H17NO (isomer)
Names and Identifiers
Synonyms

4-methyl-2-(4-(trifluoromethyl)phenyl)pyrrolidine 4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine AC1N1LSF AK454554 AKOS014016313 CTK8J5458 KB-291070 MCULE-7523442047 MOLPORT-004-749-432 NE49983 SCHEMBL17507873 Z1436473475

Inchi
InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
Canonical Smiles
C(C(C(C(C(C(=O)O)O)O)O)O)O
Properties
Melting Point
131 DEG C
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:196.15528g/mol
  • Molecular Formula:C12H17NO
  • Exact Mass:196.058303
  • Monoisotopic Mass:196.058303
  • Complexity:170
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:138
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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