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Home> Hot Product Listed T   > T6404410
5080-22-8 structure

T6404410

Iupac Name:N-propan-2-ylhydroxylamine
CAS No.:5080-22-8
Molecular Weight:75.111
Molecular Formula:C17H18BRNO2 (isomer)
Names and Identifiers
Synonyms

4-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl}-8-oxa-3,5-diazatricyclo[7.4.0.0(2),?]trideca-1(13),2(7),3,9,11-pentaen-6-one 4-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl}-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one AKOS008056689 MCULE-8699479170 MOLPORT-009-382-114 Z105894390

Inchi
InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3
InChkey
ODHYIQOBTIWVRZ-UHFFFAOYSA-N
Canonical Smiles
CC(C)NO
Properties
Melting Point
159℃
Safety and Handling
Risk Statements
R21/22
Safety Statements
24/25
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
ANGUS CHEMIE GMBH 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:75.111g/mol
  • Molecular Formula:C17H18BRNO2
  • Compound Is Canonicalized:True
  • Exact Mass:75.068
  • Monoisotopic Mass:75.068
  • Complexity:20.9
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:5
  • 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: AAADccBCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAUCAAACCjBAAQCAABQAAAA AAAAAAAAAAAAAAAgAIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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