Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Food Dyestuffs  /  Organic Intermediate  /  Organic Intermediates  /  Pharmaceutical Intermediates  /  Laboratory Chemicals
1-Piperidineacetamide, N-(1-cyanocyclohexyl)-N-phenyl- structure
1-Piperidineacetamide, N-(1-cyanocyclohexyl)-N-phenyl- structure

1-Piperidineacetamide, N-(1-cyanocyclohexyl)-N-phenyl-

Iupac Name:3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CAS No.:2321-07-5
Molecular Weight:332.31
1. Names and Identifiers
1.1 Name
1-Piperidineacetamide, N-(1-cyanocyclohexyl)-N-phenyl-
1.2 CAS No.
2321-07-5
1.3 CID
16850
1.4 Molecular Formula
C22H25NO6 (isomer)
1.5 Inchi
InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
1.6 InChkey
GNBHRKFJIUUOQI-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
1.8 Isomers Smiles
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
2. 3D Conformer
3. Properties
3.1 Melting Point
320 °C(lit.)
3.2 Refractive Index
1.5000 (estimate)
4. Safety and Handling
4.1 Risk Statements
43-36-36/37/38
4.2 Safety Statements
22-24/25-37/39-26-36/37/39-27
4.3 PackingGroup
I; II; III
5. 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

6. Computational chemical data
  • Molecular Weight:332.31g/mol
  • Molecular Formula:C22H25NO6
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.4
  • Exact Mass:332.06847348
  • Monoisotopic Mass:332.06847348
  • Complexity:522
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:76
  • Heavy Atom Count:25
  • 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
8. Question & Answer
  • I want to start experimenting with fluorescein. I have a 353 nm UV light source, but am thinking that it might be too short since it looks like peak excitation occurs at 494 nm. So am I correct in assuming that I should buy light sources that emit light at around 494 nm (480 nm for example)?
  • I am a home-chemist and I love dyes. I recently got my hands on sodium salt of erythrosine (tetra-iodinated fluorescein ). I want to convert erythrosine to fluorescein. I speculate that using dilute NaOH solution might cause formation of sodium iodide and tetra-hydroxylated fluorescein. How can I r...
  • I need help with the reaction between fluorescein and blood in the method of detecting latent blood stains. I find it hard to find any literature on this subject. As far as I am concerned, the fluorescein is reduced into fluorescin in a stock solution with powdered zinc, distilled water and sodium ...
  • I know that (aq) fluorescein "absorbs" UV light and releases light in the visible spectrum , but how does it do that. It is a really interesting and useful organic chemical and I just wanted to know what goes on in it so that it lights up.
9. Recommended Suppliers
Global140SuppliersView all >>
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Fluorescein
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Fluorescein
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Indicators, Biological Stains, Dyes, Intermediates, Chemicals.
  • Tel:86-22-82826443
Fluorescein
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2016/06/22
Inquire
  • Products:Additives for Gasoline and diesel, Pharmaceutical Products, Fire retardant products
  • Tel:86-574-89212210
Fluorescein
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/01/14
Inquire
  • Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc
  • Tel:86-27-83214668
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy- CAS 2321-07-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2019/03/26
Inquire