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T6528766 structure
T6528766 structure

T6528766

Iupac Name:3-methylpiperidin-4-ol
CAS No.:33557-57-2
Molecular Weight:115.17
1. Names and Identifiers
1.1 Name
T6528766
1.2 Synonyms

2-(4-methanesulfonylphenoxy)pyridine-3-carbonitrile AKOS005907779 MCULE-5668141535 MOLPORT-009-521-357 Z86412155 ZINC35055581

1.3 CAS No.
33557-57-2
1.4 CID
4713502
1.5 Molecular Formula
C9H10CLF2N (isomer)
1.6 Inchi
InChI=1S/C6H13NO/c1-5-4-7-3-2-6(5)8/h5-8H,2-4H2,1H3
1.7 InChkey
OAQDXXYGSGJMGR-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1CNCCC1O
1.9 Isomers Smiles
CC1CNCCC1O
2. Properties
3.1 Refractive Index
1.459
3. Safety and Handling
4.1 HazardClass
3
4.1 PackingGroup
4. 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

5. Computational chemical data
  • Molecular Weight:115.17g/mol
  • Molecular Formula:C9H10CLF2N
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.1
  • Exact Mass:115.099714038
  • Monoisotopic Mass:115.099714038
  • Complexity:74.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Recommended Suppliers
Global3SuppliersView all >>
  • Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
  • Tel:86-21-61723543
4-Hydroxy-3-methylpiperidine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
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  • Products:building blocks, synthetic intermediates, custom synthesis
  • Tel:1-631-5046093
4-Hydroxy-3-methylpiperidine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: Inquiry USD/Gram
  • Time: 2016/03/29
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  • Tel:86-21-68404353-215
3-Methylpiperidin-4-ol
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire