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Home> Hot Product Listed F   > F5831-7500
137-58-6 structure

F5831-7500

Iupac Name:2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CAS No.:137-58-6
Molecular Weight:234.343
Molecular Formula:C14H18N4OS (isomer)
Names and Identifiers
Synonyms

2,4-dimethyl-n-(thiophen-3-ylmethyl)thiazole-5-carboxamide AKOS024520570 MCULE-2296866338 ZINC38586184

Inchi
InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChkey
NNJVILVZKWQKPM-UHFFFAOYSA-N
Canonical Smiles
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
Properties
Melting Point
66-69℃
Vapour
4.28E-05mmHg at 25°C
Safety and Handling
Risk Statements
R22
Safety Statements
S22;S26;S36
HazardClass
6.1(b)
PackingGroup
III
Transport
25kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 137-58-6 EC: F5831-7500 ·ECHA C&L Inventory for CAS: CAS: 137-58-6 EC: F5831-7500
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:234.343g/mol
  • Molecular Formula:C14H18N4OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.3
  • Exact Mass:234.173
  • Monoisotopic Mass:234.173
  • Complexity:228
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:17
  • 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: AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAjBmAQywIPAAACI AiVSUACCAAAhAAAIiACIRIgIYCLAkbGUIAhglADIyAcQgEAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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