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Home> Hot Product Listed T   > T6744500
14062-80-7 structure

T6744500

Iupac Name:4-chloro-N,N-dimethylbenzamide
CAS No.:14062-80-7
Molecular Weight:183.635
Molecular Formula:C20H31N3O3S (isomer)
Names and Identifiers
Synonyms

2-methyl-n-{[6-(2-phenoxyethoxy)pyridin-3-yl]methyl}propanamide MCULE-1822930284 MOLPORT-009-087-753 Z737846330 ZINC55567389

Inchi
InChI=1S/C9H10ClNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChkey
FARSXMMESQDZMY-UHFFFAOYSA-N
Canonical Smiles
CN(C)C(=O)C1=CC=C(C=C1)Cl
Properties
Vapour
0.000949mmHg at 25°C
Refractive Index
1.544
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 14062-80-7 EC: T6744500 ·ECHA C&L Inventory for CAS: CAS: 14062-80-7 EC: T6744500
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:183.635g/mol
  • Molecular Formula:C20H31N3O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.6
  • Exact Mass:183.045
  • Monoisotopic Mass:183.045
  • Complexity:162
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.3A^2
  • Heavy Atom Count:12
  • 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: AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIAAAAADAKBmCQyAIMAAACI AiFSEACCAAAkBQAIiAEIBsgIIDKBlxGEIQhgggAIiYcYiACOBAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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