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Home> Hot Product Listed N   > n-(2,2-dimethyl-2h-1,3-benzodioxol-5-yl)-3-acetamidopropanamide
2550-11-0 structure

n-(2,2-dimethyl-2h-1,3-benzodioxol-5-yl)-3-acetamidopropanamide

Iupac Name:4,7-dimethyloct-6-en-3-one
CAS No.:2550-11-0
Molecular Weight:154.253
Molecular Formula:C15H10F2N2O2 (isomer)
Names and Identifiers
Synonyms

MCULE-3521467450 MOLPORT-028-758-381 Z437779152 ZINC49095625

Inchi
InChI=1S/C10H18O/c1-5-10(11)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3
InChkey
WKQWDIFHKYWRTA-UHFFFAOYSA-N
Canonical Smiles
CCC(=O)C(C)CC=C(C)C
Properties
Vapour
0.194mmHg at 25°C
Refractive Index
1.436
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:154.253g/mol
  • Molecular Formula:C15H10F2N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:154.136
  • Monoisotopic Mass:154.136
  • Complexity:152
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:11
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQSAgAACAAAAAACI AqBSAAAAAAAgAAAACAEAAAgAABIAAQAAAAAAgAAIAAMAAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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