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Home> Hot Product Listed Z   > ZINC30822964
4223-03-4 structure

ZINC30822964

Iupac Name:N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CAS No.:4223-03-4
Molecular Weight:183.29
Molecular Formula:C17H29O4PS2 (isomer)
Names and Identifiers
Synonyms

2h-pyrazolo[4,3-c]pyridine-7-carboxylic acid, 3,5-dihydro-3-oxo-2-phenyl-5-(phenylmethyl)-, methyl ester AK422720 AKOS003189145 ALBB-022109 BG00694569 MCULE-4878118596 methyl 5-benzyl-3-oxo-2-phenyl-3,5-dihydro-2h-pyrazolo[4,3-c]pyridine-7-carboxylate methyl 5-benzyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate mfcd13370452 MOLPORT-006-319-458 STK513714 zx-an037696

Inchi
InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
InChkey
YRDNVESFWXDNSI-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)CC(C)(C)NC(=O)C=C
Properties
Melting Point
63-64°C
Refractive Index
1.445
HS Code
2924199090
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36/37/39
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Akzo Nobel Surface Chemistry AB 2015
Ashland Services BV (0311) 2015
more >
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/…if 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:183.29g/mol
  • Molecular Formula:C17H29O4PS2
  • Compound Is Canonicalized:True
  • Exact Mass:183.162
  • Monoisotopic Mass:183.162
  • Complexity:199
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:29.1A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceByIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADoiBgAACAALAAACI ACFSEACAAAAAAAAIAAAAAEAAAAIAgAAEAAAAFACAAIAAAAANAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
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  • Fax:86-21-33250189
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