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Home> Hot Product Listed 1   > 13BETA-ETHYL-11ALPHA-HYDROXYANDROST-4-ENE-3,17-DIONE
3321-06-0 structure

13BETA-ETHYL-11ALPHA-HYDROXYANDROST-4-ENE-3,17-DIONE

CAS No.:3321-06-0
Molecular Weight:419.98466
Molecular Formula:C9H9N3O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C24H33NO3.ClH/c1-5-13-22(6-2)28-24(20-14-9-7-10-15-20,21-16-11-8-12-17-21)23(26)27-19-18-25(3)4;/h7-12,14-17,22H,5-6,13,18-19H2,1-4H3;1H
Canonical Smiles
CCCC(CC)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[NH+](C)C.[Cl-]
Properties
Density
1.17 g/mL at 20 °C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H312+H332 Harmful in contact with skin or if inhaled

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

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

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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:419.98466g/mol
  • Molecular Formula:C9H9N3O2
  • Exact Mass:419.222722
  • Monoisotopic Mass:419.222722
  • Complexity:421
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:40
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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