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Home> Hot Product Listed T   > T6723698
137-40-6 structure

T6723698

Iupac Name:sodium;propanoate
CAS No.:137-40-6
Molecular Weight:96.061
Molecular Formula:C22H21N3O3 (isomer)
Names and Identifiers
Synonyms

2-(2-fluorophenyl)-n-[2-(3-methylpiperidin-1-yl)ethyl]acetamide MCULE-5740223375 MOLPORT-009-055-652 Z422682666

Inchi
InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChkey
JXKPEJDQGNYQSM-UHFFFAOYSA-M
Canonical Smiles
CCC(=O)[O-].[Na+]
Properties
Melting Point
285-286℃
Vapour
4.23mmHg at 25°C
Safety and Handling
Risk Statements
R21;R38
Safety Statements
S26;S36/37/39
Transport
25kgs
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  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
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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:96.061g/mol
  • Molecular Formula:C22H21N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:96.019
  • Monoisotopic Mass:96.019
  • Complexity:44.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.1A^2
  • Heavy Atom Count:6
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcYBAMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAAAI AACQCAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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