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Home> Hot Product Listed Z   > ZINC48559070
85-41-6 structure

ZINC48559070

CAS No.:85-41-6
Molecular Weight:147.1308
Molecular Formula:C14H19N3O4S (isomer)
Names and Identifiers
Synonyms

2-[(carbamoylmethyl)(propan-2-yl)amino]-n-[(5-ethylthiophen-2-yl)methyl]acetamide MCULE-9877083228 MOLPORT-020-117-799 Z644604636

Inchi
InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
InChkey
XKJCHHZQLQNZHY-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)NC2=O
Properties
Melting Point
233.5-235℃
HS Code
29251995
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S24/25
Transport
25kgs
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
DUSLO 2010
Lanxess Deutschland GmbH 2010
Lapiz Europe Limited as Only Representative for Chemidye Manufacturing Company 2010
more >
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:147.1308g/mol
  • Molecular Formula:C14H19N3O4S
  • XLogP3-AA:1.1
  • Exact Mass:147.032028
  • Monoisotopic Mass:147.032028
  • Complexity:190
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:46.2
  • Heavy Atom Count:11
  • 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
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
 
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