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Home> Hot Product Listed A   > AKOS009942196
84-26-4 structure

AKOS009942196

CAS No.:84-26-4
Molecular Weight:287.31532
Molecular Formula:C23H20CLN5O3 (isomer)
Names and Identifiers
Synonyms

2-(2,4-dichloro-phenyl)-2-ethylamino-propionic acid

Inchi
InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
InChkey
ACVGWSKVRYFWRP-UHFFFAOYSA-N
Canonical Smiles
C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4
Properties
Melting Point
259.5 - 260
Refractive Index
1.781
HS Code
29339900
Safety and Handling
Risk Statements
R25
Safety Statements
S45
HazardClass
6.1
PackingGroup
III
Transport
UN 2811
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 84-26-4 EC: AKOS009942196 ·ECHA C&L Inventory for CAS: CAS: 84-26-4 EC: AKOS009942196
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:287.31532g/mol
  • Molecular Formula:C23H20CLN5O3
  • Exact Mass:287.105862
  • Monoisotopic Mass:287.105862
  • Complexity:517
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:48.5
  • Heavy Atom Count:22
  • 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
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Recommended Suppliers
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  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
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