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Home> Hot Product Listed A   > AKOS000257498
5402-55-1 structure

AKOS000257498

Iupac Name:2-thiophen-2-ylethanol
CAS No.:5402-55-1
Molecular Weight:128.189
Molecular Formula:C23H38N4O3 (isomer)
Names and Identifiers
Synonyms

1,2,3,4-tetrahydro-3-[(2-methyl-4-morpholinyl)methyl]-isoquinoline 3-[(2-methylmorpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline AKOS022487890 BG01228771

Inchi
InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
InChkey
VMJOFTHFJMLIKL-UHFFFAOYSA-N
Canonical Smiles
C1=CSC(=C1)CCO
Properties
Refractive Index
1.549-1.552
HS Code
29349990
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S23;S24/25
Transport
200kgs
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
ERREGIERRE SPA 2017
EXPANSIA 2017
Sicor - Società Italiana Corticosteroidi S.r.l. 2014
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:128.189g/mol
  • Molecular Formula:C23H38N4O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:128.03
  • Monoisotopic Mass:128.03
  • Complexity:65.5
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:48.5A^2
  • Heavy Atom Count:8
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBgIABAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgQACAAACACk0AKwAYAAAgiE ACBCAAADAIAgCBBIiBgAAIgIMCKgERCAQAAkwAEoiAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-312-18103315327
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