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Home> Hot Product Listed Z   > ZINC49006490
94-13-3 structure

ZINC49006490

CAS No.:94-13-3
Molecular Weight:180.20048
Molecular Formula:C17H17N5O (isomer)
Names and Identifiers
Synonyms

AKOS021842916 F3406-3928 MCULE-8894143759 MOLPORT-009-713-421 n-(3,4-dimethoxybenzyl)-1-(3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)piperidine-4-carboxamide n-(4-chlorophenyl)-2-({3-[(2-methylphenyl)thio]pyrazin-2-yl}thio)acetamide VU0622522-1

Inchi
InChI=1/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChkey
QELSKZZBTMNZEB-UHFFFAOYSA-N
Canonical Smiles
CCCOC(=O)C1=CC=C(C=C1)O
Properties
Melting Point
95-99℃
Refractive Index
1.5050
HS Code
29182930
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
PackingGroup
Z01
Transport
无资料?
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 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Clariant Produkte (Deutschland) GmbH 2013
Dr. Knoell Consult - OR - E9 2014
SCAS Europe S.A./N.V. 2013
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:180.20048g/mol
  • Molecular Formula:C17H17N5O
  • XLogP3-AA:3
  • Exact Mass:180.078644
  • Monoisotopic Mass:180.078644
  • Complexity:160
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5
  • Heavy Atom Count:13
  • 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:0086-571-86722205
  • Fax:0086-571-86722205
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-574-3082699
  • Fax:86-570-3085678
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
 
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