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Home> Hot Product Listed F   > F3225-8211
1193-65-3 structure

F3225-8211

Iupac Name:1-azabicyclo[2.2.2]octan-3-one;hydrochloride
CAS No.:1193-65-3
Molecular Weight:161.629
Molecular Formula:C13H17NO4 (isomer)
Names and Identifiers
Synonyms

(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-chlorophenyl)methanone (4-chlorophenyl)(4a-hydroxyoctahydroisoquinolin-2(1h)-yl)methanone AC1MZMHI AKOS017459587 MCULE-7145975318 MOLPORT-005-287-090 STL303233 VU0605282-1

Inchi
InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H
InChkey
RFDPHKHXPMDJJD-UHFFFAOYSA-N
Canonical Smiles
C1CN2CCC1C(=O)C2.Cl
Properties
Melting Point
>300℃ (dec.)
Vapour
0.257mmHg at 25°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
HazardClass
IRRITANT
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 INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
SYNTESIA CHEMIE GmbH 2017
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)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:161.629g/mol
  • Molecular Formula:C13H17NO4
  • Compound Is Canonicalized:True
  • Exact Mass:161.061
  • Monoisotopic Mass:161.061
  • Complexity:136
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:20.3A^2
  • Heavy Atom Count:10
  • 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: AAADccBiIAAEAAAAAAAAAAAAAAAAAAAAAAAsWLAAAAAAAAAAAAAAHgAAAAAADQTBgAQAAAMAAAAI AIAQAAAAAAAAAAAAAAGIAAAAABIAgCAEAAAAAACAAAAUAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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