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Home> Hot Product Listed 2   > 2-Pyrrolidinethione,1-(1-phenyl-1-propen-1-yl)-
13139-15-6 structure

2-Pyrrolidinethione,1-(1-phenyl-1-propen-1-yl)-

Iupac Name:(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CAS No.:13139-15-6
Molecular Weight:231.28874
Molecular Formula:C13H10O2 (isomer)
Names and Identifiers
Synonyms

1-(1-phenylprop-1-en-1-yl)pyrrolidine-2-thione 1-[(1z)-1-phenylprop-1-en-1-yl]pyrrolidine-2-thione 2-Pyrrolidinethione,1-(1-phenyl-1-propenyl)- (9CI) AK432916 AKOS027394565

Inchi
InChI=1/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
Canonical Smiles
CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C
Isomers Smiles
CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Melting Point
82-85℃
Boiling Point
291.5°C at 760 mmHg
Vapour
4.98E-06mmHg at 25°C
Refractive Index
-25 ° (C=2, AcOH)
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
26-36
Transport
OTH
Reach Info
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:231.28874g/mol
  • Molecular Formula:C13H10O2
  • Exact Mass:231.147058
  • Monoisotopic Mass:231.147058
  • Complexity:255
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:1
  • 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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Recommended Suppliers
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  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
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