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Home> Hot Product Listed 2   > 2,4-Imidazolidinedione, 5,5-diethyl-3-[3-(4-phenyl-1-piperazinyl)propyl]-
2363-59-9 structure

2,4-Imidazolidinedione, 5,5-diethyl-3-[3-(4-phenyl-1-piperazinyl)propyl]-

CAS No.:2363-59-9
Molecular Weight:328.44522
Molecular Formula:C30H42O2SI (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3
Canonical Smiles
CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C
Isomers Smiles
CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
Properties
Vapour
4.58E-08mmHg at 25°C
Refractive Index
1.555
Safety and Handling
Risk Statements
R40
Safety Statements
22-24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

Specific target organ toxicity – repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H351 Suspected of causing cancer

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:328.44522g/mol
  • Molecular Formula:C30H42O2SI
  • XLogP3-AA:4.1
  • Exact Mass:328.203845
  • Monoisotopic Mass:328.203845
  • Complexity:646
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:6
  • 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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