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Home> Hot Product Listed A   > APTODNLYCVDKJG-UHFFFAOYSA-N
557-05-1 structure

APTODNLYCVDKJG-UHFFFAOYSA-N

Iupac Name:zinc;octadecanoate
CAS No.:557-05-1
Molecular Weight:632.33
Molecular Formula:C16H23N3O2 (isomer)
Names and Identifiers
Synonyms

glycine, n-[4-(diethylamino)phenyl]- glycine, n-[p-(diethylamino)phenyl]- n-[4-(diethylamino)phenyl]glycine SCHEMBL11309181

Inchi
InChI=1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
InChkey
XOOUIPVCVHRTMJ-UHFFFAOYSA-L
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
Properties
Melting Point
128-130 °C(lit.)
Safety and Handling
Risk Statements
37
Safety Statements
22-26-36/37/39-38-24/25
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
Sustainability Support Services (Europe) AB 2013
Sustainability Support Services (Europe) AB 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

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:632.33g/mol
  • Molecular Formula:C16H23N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:630.457
  • Monoisotopic Mass:630.457
  • Complexity:196
  • Rotatable Bond Count:30
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3A^2
  • Heavy Atom Count:41
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcfB8OAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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