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Home> Hot Product Listed N   > NVP-BHG712
52304-36-6 structure

NVP-BHG712

Iupac Name:ethyl 3-[acetyl(butyl)amino]propanoate
CAS No.:52304-36-6
Molecular Weight:215.28900
Molecular Formula:C10H12CL2N2O2 (isomer)
Names and Identifiers
Synonyms

4-Methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluorome 4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide 4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide NVP-BHG712 4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

Inchi
InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
InChkey
VZRKEAFHFMSHCD-UHFFFAOYSA-N
Canonical Smiles
CCCCN(CCC(=O)OCC)C(=O)C
Properties
Refractive Index
1.444
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 52304-36-6 EC: NVP-BHG712 ·ECHA C&L Inventory for CAS: CAS: 52304-36-6 EC: NVP-BHG712
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:215.28900g/mol
  • Molecular Formula:C10H12CL2N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:215.152
  • Monoisotopic Mass:215.152
  • Complexity:204
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.6A^2
  • Heavy Atom Count:15
  • 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: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAACADhgAYCCAMABAAI AAGQGAAAAAAAAAAAAAEIAAAAAAgAgAAGAAACBgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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