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Home> Hot Product Listed A   > AKOS000217933
965-93-5 structure

AKOS000217933

Iupac Name:(8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CAS No.:965-93-5
Molecular Weight:284.399
Molecular Formula:C15H12N4O2 (isomer)
Names and Identifiers
Synonyms

4-(diethylamino)-n'-hydroxybenzenecarboximidamide 4-(diethylamino)-n'-hydroxybenzimidamide AK328185 BBL006376 H5379 MCULE-5697271741 mfcd11135291 MOLPORT-019-359-349 SCHEMBL4397202 STL096097

Inchi
InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
InChkey
CCCIJQPRIXGQOE-XWSJACJDSA-N
Canonical Smiles
CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O
Properties
Refractive Index
1.597
Safety and Handling
HazardClass
4.1
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 965-93-5 EC: AKOS000217933 ·ECHA C&L Inventory for CAS: CAS: 965-93-5 EC: AKOS000217933
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:284.399g/mol
  • Molecular Formula:C15H12N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:284.178
  • Monoisotopic Mass:284.178
  • Complexity:609
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:4
  • 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: AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAgQIAAAAAAAECAAAAAGgAACAAAD0SAgAACAAAAAgCI AqBSAAAAAAAgAAAICAEAAEgIABIAAQAAQAAEwAAIgQOIyPCPgAAAAAAAAAAAAAAAAAAAAYAADAAA AA==
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